123120-98-9

123120-98-9 - Names and Identifiers

Name	1,2-Propanediol
Synonyms	1,2-Propanediol Propylene Glycol Propane-1,2-diol Propyledne glycol Propylene glycol 57-55-6 PROPYLENEGLYCOLTECHGRADE Propylene Glycol, Reagent Propyleneglycol Manufacturer PROPYLENEGLYCOL, REAGENT (ACS)PROPYLENEGLYCOL, REAGENT (ACS)PROPYLENEGLYCOL, REAGENT (ACS)
CAS	57-55-6 123120-98-9
EINECS	200-338-0
InChI	InChI:1S/C3H8O2/c1-3(5)2-4/h3-5H,2H2,1H3
InChIKey	DNIAPMSPPWPWGF-UHFFFAOYSA-N

123120-98-9 - Physico-chemical Properties

Molecular Formula	C3H8O2
Molar Mass	76.09
Density	1.036 g/mL at 25 °C (lit.)
Melting Point	-60 °C (lit.)
Boling Point	187 °C (lit.)
Specific Rotation(α)	n20/D 1.432 (lit.)
Flash Point	225°F
JECFA Number	925
Water Solubility	miscible
Solubility	Miscible in water, acetone, ethyl acetate and chloroform, soluble in ether. It can be dissolved in many essential oils, but cannot be miscible with petroleum ether, paraffin and grease.
Vapor Presure	0.08 mm Hg ( 20 °C)
Vapor Density	2.62 (vs air)
Appearance	Viscous Liquid
Specific Gravity	1.038 (20/20℃)1.036～1.040
Color	APHA: ≤10
Merck	14,7855
BRN	1340498
pKa	14.49±0.20(Predicted)
PH	6-8 (100g/l, H2O, 20℃)
Storage Condition	Store at +5°C to +30°C.
Sensitive	Hygroscopic
Explosive Limit	2.4-17.4%(V)
Refractive Index	n20/D 1.432(lit.)
MDL	MFCD00064272
Physical and Chemical Properties	Colorless, viscous and stable water-absorbing liquid, almost tasteless and odorless. melting point -60 ℃ boiling point 187.3 ℃ relative density 1.0381 refractive index 1.4326 flash point 99 ℃ solubility, ethanol and a variety of organic solvents miscible.
Use	Used as resin, plasticizer, surfactant, emulsifier and demulsifier of raw materials, can also be used as antifreeze and heat carrier

123120-98-9 - Risk and Safety

Safety Description	24/25 - Avoid contact with skin and eyes.
WGK Germany	1
RTECS	TY2000000
TSCA	Yes
HS Code	29053200
Toxicity	LD50 orally in Rabbit: 19400 - 36000 mg/kg LD50 dermal Rabbit 20800 mg/kg

123120-98-9 - Upstream Downstream Industry

Raw Materials	Propylene oxide Methyl alcohol Propylene carbonate
Downstream Products	1,2-Propanediol

123120-98-9 - Reference

Reference

1. Yang, Qing, et al. "Development of sulconazole-loaded nanoemulsions for enhancement of transdermal permeation and antifungal activity." International journal of nanomedicine 14 (2019): 3955.https://dx.doi.org/10.2147%2FIJN.S206657
2. Cheng, Qi-Bin, and Li-Wei Zhang. "Highly efficient enzymatic preparation of daidzein in deep eutectic solvents." Molecules 22.1 (2017): 186.https://doi.org/10.3390/molecules22010186
3. [IF=4.411] Qi-Bin Cheng et al."Highly Efficient Enzymatic Preparation of Daidzein in Deep Eutectic Solvents."Molecules. 2017 Jan;22(1):186
4. [IF=6.953] Xi Yang et al."Structuring oil-in-water emulsion by forming egg yolk/alginate complexes: Their potential application in fabricating low-fat mayonnaise-like emulsion gels and redispersible solid emulsions."Int J Biol Macromol. 2020 Mar;147:595
5. [IF=6.321] Chuanqi Wang et al."Dasatinib Nanoemulsion and Nanocrystal for Enhanced Oral Drug Delivery."Pharmaceutics. 2022 Jan;14(1):197
6. [IF=5.875] Yutong Wang et al."Extra virgin olive oil-based phospholipid complex/self-microemulsion enhances oral absorption of salvianolic acid B through inhibition of catechol-O-methyltransferase-mediated metabolism."Int J Pharmaceut. 2022 Jan;611:121330

123120-98-9 - Nature

Open Data Verified Data

colorless viscous stable absorbent liquid, almost tasteless, odorless, flammable, low toxicity. Miscible with water, ethanol and a variety of organic solvents. Boiling point 187.3 °c. Melting Point -60 °c. The relative density was 1.0381. Refractive index 4326. Surface tension (20 degrees C) 38mNm. Viscosity (20 ℃)60. 5mPa -s. Specific heat capacity (20 °c) 2.49kj/(kg. °C). Heat of vaporization (101.3kPa)7Ukj/kg. Heat of combustion (25 °c) 1824. OkJ/mol. Flash point (Open Cup) 99 °c. Spontaneous ignition point 415.5. The critical temperature is 352. The critical pressure was 6.1 MPa.

Last Update：2024-01-02 23:10:35

123120-98-9 - Preparation Method

Open Data Verified Data

The propylene oxide direct hydration method is a pressurized non-catalytic hydrolysis method. From propylene oxide and water in 150 N160 ℃, 0. 78~0. 98MPa pressure, the direct hydration of the reaction product by evaporation, distillation, to get the finished product.
The propylene oxide Indirect hydration method is prepared by the Indirect hydration of propylene oxide and water with sulfuric acid as a catalyst. The reaction scheme was as above.
direct catalytic oxidation of propylene.

Last Update：2022-01-01 10:34:37

123120-98-9 - Standard

Authoritative Data Verified Data

This product is 1,2-propylene glycol ^ containing (:3 pressure 0 2 not less than 99.5%.

Last Update：2024-01-02 23:10:35

123120-98-9 - Trait

Authoritative Data Verified Data

This product is colorless and clear viscous liquid; Odorless; With hygroscopicity.
This product can be freely miscible with water, ethanol or methane.

relative density

The relative density of this product (General rule 0601) should be 1.035~1.037 at 25°C.

refractive index

The refractive index of this product (General Rule 0 6 2 2 ), should be 1.431~1.433.

Last Update：2022-01-01 11:21:36

123120-98-9 - Introduction

Slightly spicy. It is easy to absorb moisture and is stable under normal conditions, but it is easy to produce propionaldehyde, lactic acid, pyruvate and acetic acid at high temperatures. It is miscible with water, acetone and chloroform, and soluble in ether. The median lethal dose (rat, oral) is 25ml/kg.

Last Update：2022-10-16 17:26:29

123120-98-9 - Use

Open Data Verified Data

is the raw material of Unsaturated Polyester Resin, epoxy resin, polyurethane resin, but also the raw material of plasticizer, surfactant, emulsifier and demulsifier. In the food industry and the like, it is used as a solvent for flavor, food pigment, tobacco wetting agent, fungicide and fruit ripening preservative, pharmaceutical excipient and the like. It can also be used as antifreeze, heat carrier and food machinery lubricant.

Last Update：2022-01-01 10:34:36

123120-98-9 - Differential diagnosis

Authoritative Data Verified Data

in the chromatogram recorded under the content determination item, the retention time of the main peak of the test solution should be consistent with the retention time of the main peak of the reference solution.
The infrared absorption spectrum of this product should be consistent with that of the control (Spectrum set 706) (General 0402).

Last Update：2022-01-01 11:21:36

123120-98-9 - Safety

Open Data Verified Data

toxicity and irritation are very small, so far no victim has been found. The rats were injected intravenously and intraperitoneally with LD50 7000 ~ 8000mg/kg and oral LD502800mg/kg. However, it has also been reported that when it is added to food and beverages at too high a dose, there is a risk of causing fatal sleep and kidney disorders.
although this product does not spontaneous combustion, it is combustible. Long-term storage will not deteriorate, but the opening will absorb moisture. Storage and transport containers should be made of galvanized iron barrels, aluminum or stainless steel. According to the general provisions of low toxicity chemicals storage and transportation.

Last Update：2022-01-01 10:34:37

123120-98-9 - Exam

Authoritative Data Verified Data

acidity

take this product 10. 0ML, after adding 50ml of fresh boiling cold water to dissolve, add 3 drops of bromothymol blue indicator solution, titrate with sodium hydroxide titration solution (0.01mol/L) until the solution shows blue, consume sodium hydroxide titration solution (0. 01mol/L) should not exceed the volume of 0. 5ml.

oxide

take 1.0 of this product and check it according to law (General rule 0801). Compared with the control solution made of standard sodium oxide solution 7. 0ml, it should not be deeper (0- 007%).

sulfate

take this product 5. 0ML, check according to law (General rule 0802), and standard potassium sulfate solution 3. Compared with the control solution made of 0M l, it should not be deeper (0. 006%)

oxidizing substance

Take 5.0 of this product, put it in an iodine bottle, and add potassium iodide test solution 1 .5M l and dilute sulfuric acid 2ml, close, place in the dark for 15 minutes, add 2ml of starch indicator solution, if Blue, titrate with sodium thiosulfate titration solution (0.005mol/L) until the blue disappears, consumption of sodium thiosulfate titration solution (0.0.005mol/L) should not exceed the volume of 0. 2mL.

reducing substance

take this product 1. Om↑, add ammonia test solution lm l, heat in 60flC bath for 5 minutes, the solution should not show yellow; Quickly add silver nitrate test solution of 0.15ml, shake, place for 5 minutes, the solution should be no change.

Related substances

take the right amount of this product, precision weighing, diluted with absolute ethanol to make each l p I l containing propylene glycol 0 .5g of solution, as the test solution; Another precision weighing diethylene glycol (diethylene glycol), dipropylene glycol, tripropylene glycol and propylene oxide reference, diluted with absolute ethanol, a mixed solution containing 5 tons, 5 0, 10, and 5mg per lm l was prepared as a reference solution. Test according to Gas chromatography (General Rule 0 5 2 1). Polyethylene glycol 20 M was used as the stationary liquid, the initial temperature was 80°C, the temperature was maintained for 3 minutes, and the temperature was raised to 2 20 at a rate of 15°C per minute. 0, maintain 4 minutes, the temperature of the sample inlet is 230 degrees C, the temperature of the detector is 25 0*0, and the separation of the peaks of each component should meet the requirements. The B l of the test solution and the reference solution are injected into the gas chromatograph, and the peak area is calculated according to the external standard method. Containing diethylene glycol (diethylene glycol) shall not exceed 0. 001 '» -dipropylene glycol shall not exceed 0. 1 %; Tripropylene glycol shall not exceed 0.03%' propylene oxide shall not exceed 0. 001%.

moisture

take an appropriate amount of this product, according to the determination method of moisture (General rule 0832 first method 1), the water content shall not exceed 0. 2%.

ignition residue

take 50g of this product, heat to combustion, that is, stop heating, make natural combustion to thousand, burn to constant weight at 700 ~ 800aC, and the residual residue should not pass 2. 5mg.

Heavy metals

take 4.0M l of this product, add water 1 9M l and acetate buffer (p H 3 .5 )2M l, mixed, inspected according to law (General Principles 0821 first law), containing heavy metals shall not exceed 5 parts per million.

arsenic salt

take this product l .O g, add hydrochloric acid 5M l and water 23ml, shake, check according to law (General rule 0822), should comply with the provisions (0.0002%).

Last Update：2022-01-01 11:21:37

123120-98-9 - Content determination

Authoritative Data Verified Data

measured by gas chromatography (General 0521).

chromatographic conditions and system suitability test

with polyethylene glycol 20m as stationary phase; The initial temperature is 1 3 0°C, 1 min, 1(TC rate of heating to 240°C, 1 min, the inlet temperature was 230°C and the detector temperature was 250°C. The number of theoretical plates is not less than 10 000 in terms of 1, 2-propanediol peak.

assay

take this product, precise weighing, diluted with anhydrous fermentation to make a solution containing about lm g per lm l, take precision l p l and inject it into human gas chromatograph, record the chromatogram; another 1, 2-propanediol reference substance was determined by the same method and calculated by peak area according to external standard method.

Last Update：2022-01-01 11:21:38

123120-98-9 - Category

Authoritative Data Verified Data

pharmaceutical excipients, solvents and plasticizers.

Last Update：2022-01-01 11:21:38

123120-98-9 - Storage

Authoritative Data Verified Data

sealed and stored in a dry place in the dark.

Last Update：2022-01-01 11:21:39

123120-98-9 - Reference Information

Update Date:	2022/11/12 10:05:38
FEMA	2940 \| PROPYLENE GLYCOL
NIST chemical information	information provided by: webbook.nist.gov (external link)
EPA chemical substance information	information provided by: ofmpeb.epa.gov (external link)
Properties and applications	propylene glycol has good solubility, less toxicity and irritation, and is widely used as injections (such as intramuscular injections, solvents, extraction solvents and preservatives for non-injectable pharmaceutical preparations (e. G., oral liquids, Ophthalmic Preparations, ear preparations, dental preparations, rectovaginal preparations, transdermal preparations, etc.), is a better solvent than glycerol, can dissolve many substances such as corticosteroids (sex hormones), chloramphenicol, sulfonamides, barbiturates, reserpine, quinidine, dehydrocorticosterone acetate, tetrahydropalmatine sulfate, chlorambucil hydrochloride, vitamin A, vitamin D, many volatile oils, most alkaloids, and many local anesthetics. propylene glycol is similar to ethanol as a bacteriostatic agent, and the efficacy of inhibiting mold is similar to that of glycerol, which is slightly lower than that of ethanol. Propylene glycol is commonly used as a plasticizer for aqueous film coating materials. The same amount of mixed liquid with water can delay the hydrolysis of some drugs and increase the stability of the preparation product. 15% ~ 30% propylene glycol solution, semi-solid preparations can be used as antibacterial preservatives, about 15% propylene glycol topical preparations can be used as humectants, 10% ~ 30% propylene glycol aerosol solvent, A 10% to 25% propylene glycol oral solution, 10% to 60% of an injection preparation, and 5% to 80% of a topical preparation are used as solvents and cosolvents. [stability and storage conditions] very stable at room temperature, but at high temperature (above 280 ° C) open placed to be oxidized; Mixed with 95% ethanol or water, With chemical stability; Can be autoclaved or filtered sterilization. Propylene glycol with hygroscopicity, should be placed in a cool and dry place, dark closed container storage. [incompatibility] Incompatibility with certain oxidants (such as potassium permanganate). This information was edited by Tong (2015-10-17).
content analysis	a sample of 10 μL was injected into a gas chromatograph with a thermal conductivity detector. The column was a 1m x 6.35mm stainless steel column, the packing was polyethylene glycol 20m (Carbowax compound 20m) 4%, and the carrier was 40/60 mesh sieved Polytetrafluoroethylene (Chromosorb T) or similar material. The carrier gas was helium and the flow rate was 75ml/min. The sampling temperature is 240 ℃; The column temperature is 120~200 ℃, the temperature rise is 5 ℃/min; The final temperature is 250 ℃. Under the specified conditions, the retention time of propylene glycol is about 5.7min, and the retention time of three dipropylene glycol isomers are 8.2, 9.0 and 10.2min respectively. The area of all peaks was determined by any suitable method, and the percentage of propylene glycol area was calculated and converted to the mass percentage.
toxicity	.FAO/WHO(2000):ADI 0~25mg/kg. LD5022 ~ 23.9mg/kg (mice, by mouth). GRAS(FDA,§ 184.1666,2000).
usage limit	FAO/WHO(1984): Shannon cheese, 5g/kg (alone or in combination with other carriers and stabilizers) of the cream mixture. Japan (1998): raw noodles, raw fillings, cuttlefish smoked products is less than or equal to 2%; The skin of the jiaozi, roasted wheat, spring roll, Rawhide, etc. is less than or equal to 1.2%; Other food is less than or equal to 0.6%. GB 2760~96: cakes 3.0g/kg, gum FDA,§ 184.1666(2000): Alcoholic beverages 5%; Confectionery and frosting 24%; Frozen dairy 2.5%; Flavoring, flavoring agents, 97%; Fruit and nut products 5%; Other food 2.0%.
Use	as a raw material for resins, plasticizers, surfactants, emulsifiers and demulsifiers, can also be used as antifreeze and heat carrier used as GC stationary liquid, solvent, antifreeze, plasticizer and dehydrating agent carrier solvent; Wetting agent; Humectant; Anti-caking agent; Antioxidant; Tissue improver; surfactants; Stabilizers; Thickeners; Dough conditioners; Emulsifiers; Flavoring agents; Excipients; Processing aids. GB 2760~96 is classified as a food processing aid. Mainly used in a variety of spices, pigments, preservatives, solvents, vanilla beans, roasted coffee grains, natural flavor extraction solvent. Candy, bread, packaging meat, cheese and other moisturizing, softener. Can also be used as noodles, core fillings of anti-mildew additives. In the milk to add 0.006%, can make the heating of the same flavor, made of white and shiny packaging tofu, fried volume expansion. propylene glycol is an intermediate of the fungicide difenoconazole. as a solvent, preservatives, pigments, antioxidants and other food additives insoluble in water can be dissolved in it, and then added into food, it has moisturizing and anti-freezing effects on food. China's regulations can be used for cakes, the maximum use of 3.0g/kg. propylene glycol is an important raw material for unsaturated polyester, epoxy resin and polyurethane resin, and the dosage in this area accounts for about 45% of the total consumption of propylene glycol. This unsaturated polyester is widely used in surface coatings and reinforced plastics. Propylene glycol has good viscosity and hygroscopicity and is non-toxic, so it is widely used as a hygroscopic agent, an anti-freezing agent, a lubricant and a solvent in the food, pharmaceutical and cosmetic industries. In the food industry, propylene glycol reacts with fatty acids to produce propylene glycol fatty acid esters, which are mainly used as food emulsifiers. Propylene glycol is an excellent solvent for condiments and pigments. Propylene glycol in the pharmaceutical industry is often used to produce all kinds of ointment, ointment solvent, softener and excipient, due to propylene glycol and all kinds of spices have good mutual solubility, so also used as a solvent and softener cosmetics, etc. Propylene glycol is also used as a solvent for tobacco moisturizers, mildewproofing agents, food processing equipment lubricants, and food marking inks. An aqueous solution of propylene glycol is an effective anti-freeze agent. as a drug carrier, granule drug agent. It can be used as a moisturizer, softener, solvent, etc. in cosmetics. Tobacco industry can be used as tobacco flavor, tobacco moisturizing agents, preservatives, etc. In the food industry, it is used as a solvent for flavor, food pigment, food packaging softener, food anti-adhesion agent, etc. Can also be used for the production of Unsaturated Polyester Resin, plastic plasticizer, dehydrating agent, surfactant, curing agent, Binder of raw materials. Can also be used in paints, pesticides, coatings and other industries aviation de-icing fluids, refrigerants and antifreeze agents, food and spices, fragrances, cosmetics and personal health care products, heat transfer fluids, hydraulic and brake fluids, paints and coatings, pet food/animal feed, pharmaceuticals, polyurethane, unsaturated polyester resin, etc. Solvents, organic synthesis, antifreeze, plasticizer, bactericide. Standard for gas chromatographic analysis. Gas chromatography stationary liquid (the highest temperature of 150 deg C, the solvent for chloroform), separation and analysis of alcohols, esters and ketones.
production method	1. Propylene oxide direct hydration method is a pressurized non-catalytic hydrolysis method. From propylene oxide and water in 150-160 ℃, 0.78-0.98MPa pressure, the direct hydration of the reaction product by evaporation, distillation, to get the finished product. 2. The Indirect hydration of propylene oxide is obtained by The Indirect hydration of propylene oxide and water with sulfuric acid as catalyst. 3. Direct catalytic oxidation of propylene. can be obtained from the hydrolysis of propylene oxide: CH3CHCH2 + H2O[H +]→ CH3CH(OH)CH2OH direct hydration of propylene oxide and water according to 1:15 molar ratio of ingredients, the reaction was carried out at 150~200 ℃ and 1.2 ~ 1.4MPa for 30min to obtain an aqueous solution containing 16% of propylene glycol, and the product was obtained by evaporative distillation. The catalytic hydrolysis reaction is carried out under the catalysis of sulfuric acid or hydrochloric acid. 10% ~ 15% of dilute sulfuric acid is added to 0.5% ~ 1.0% of propylene oxide aqueous solution, and the hydrolysis is carried out at 50~70 ℃; The hydrolysate is neutralized, concentrated under reduced pressure and refined to obtain a finished product. The preparation method is hydrolysis of propylene oxide to propylene glycol, which can be carried out in liquid phase. There are catalytic and non-catalytic methods in industry. The catalytic method is hydrolysis in the presence of 0.5% ~ 1% sulfuric acid at 50~70. No catalytic method in the high temperature pressure (150~300 ℃,980 ~ 2940kPa), the domestic production of this method. 1-chloro-2-propanol is produced by the reaction of propylene with chlorine water, which is obtained by hydrolysis with sodium carbonate solution. From the oxidation of propane to propylene oxide, and then hydrochloric acid hydrolysis obtained.
category	flammable liquid
toxicity grade	low toxicity
Acute toxicity	oral-rat LD50: 20000 mg/kg; Oral-mouse LD50: 32000 mg/kg
stimulation data	eyes-rabbit 100 mg mild
explosive hazard characteristics	explosive when mixed with air
flammability hazard characteristics	flammability; Combustion stimulus smoke
storage and transportation characteristics	warehouse ventilation and low temperature drying
extinguishing agent	dry powder, foam, sand, water
spontaneous combustion temperature	779 ° F.
toxic substance data	information provided by: pubchem.ncbi.nlm.nih.gov (external link)