BENZYL ALCOHOL (TECH)
Benzyl alcohol
CAS: 100-51-6
Molecular Formula: C7H8O
BENZYL ALCOHOL (TECH) - Names and Identifiers
| Name | Benzyl alcohol |
| Synonyms | argopore-oh Benzylalkohol Phenylmethanol Benzyl alcohol Phenylcarbinol alpha-toluenol Benzenecarbinol Benzenemethanol Benzoyl alcohol BENZYLALCOHOL,NF Benzyl Alcohol BP alpha-Hydroxytoluene Phenylmethyl alcohol BENZYL ALCOHOL (TECH) (hydroxymethyl)benzene Poly(4-hydroxymethyl)styrene BENZYL ALCOHOL NF FCC KOSHER BENZYLALCOHOL,REAGENT,ACS(BULK benzylalcohol,benzylalcohol,benzenemethanol |
| CAS | 100-51-6 |
| EINECS | 202-859-9 |
| InChI | InChI=1/C7H8O/c8-6-7-4-2-1-3-5-7/h1-5,8H,6H2 |
| InChIKey | WVDDGKGOMKODPV-UHFFFAOYSA-N |
BENZYL ALCOHOL (TECH) - Physico-chemical Properties
| Molecular Formula | C7H8O |
| Molar Mass | 108.14 |
| Density | 1.045g/mLat 25°C(lit.) |
| Melting Point | -15 °C |
| Boling Point | 205 °C |
| Flash Point | 201°F |
| JECFA Number | 25 |
| Water Solubility | 4.29 g/100 mL (20 ºC) |
| Solubility | H2O: 33mg/mL, clear, colorless |
| Vapor Presure | 13.3 mm Hg ( 100 °C) |
| Vapor Density | 3.7 (vs air) |
| Appearance | Liquid |
| Color | APHA: ≤20 |
| Odor | Mild, pleasant. |
| Exposure Limit | No exposure limit is set. Because of itslow vapor pressure and low toxicity, thehealth hazard to humans from occupationalexposure should be very low. |
| Merck | 14,1124 |
| BRN | 878307 |
| pKa | 14.36±0.10(Predicted) |
| Storage Condition | Store at +2°C to +25°C. |
| Explosive Limit | 1.3-13%(V) |
| Refractive Index | n20/D 1.539(lit.) |
| Physical and Chemical Properties | Character: colorless transparent liquid. Slightly aromatic odor. solubility: slightly soluble in water, miscible with ethanol, ether and chloroform. |
| Use | For the preparation of flower oil and drugs, etc., also used as a solvent and fixative of spices; Used as solvents, plasticizers, preservatives, and used in the manufacture of spices, soaps, drugs, dyes, etc |
BENZYL ALCOHOL (TECH) - Risk and Safety
| Risk Codes | R20/22 - Harmful by inhalation and if swallowed. R63 - Possible risk of harm to the unborn child R43 - May cause sensitization by skin contact R36/37/38 - Irritating to eyes, respiratory system and skin. R23/24/25 - Toxic by inhalation, in contact with skin and if swallowed. R45 - May cause cancer R40 - Limited evidence of a carcinogenic effect |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37 - Wear suitable protective clothing and gloves. S24/25 - Avoid contact with skin and eyes. S23 - Do not breathe vapour. S53 - Avoid exposure - obtain special instructions before use. |
| UN IDs | UN 1593 6.1/PG 3 |
| WGK Germany | 1 |
| RTECS | DN3150000 |
| FLUKA BRAND F CODES | 8-10-23-35 |
| TSCA | Yes |
| HS Code | 29062100 |
| Toxicity | LD50 orally in rats: 3.1 g/kg (Smyth) |
BENZYL ALCOHOL (TECH) - Upstream Downstream Industry
| Raw Materials | Sodium carbonate Toluene Toluene Benzyl Chloride Benzyl Chloride Chlorine |
| Downstream Products | Benzyl acetate |
BENZYL ALCOHOL (TECH) - Nature
Open Data Verified Data
colorless transparent liquid. Slightly aromatic odor. Flammable. Spontaneous ignition point 81 7. lg the product is soluble in 25mL water, with ethanol, ether, chloroform and other miscible. In case of high heat, open flame or contact with oxidant, there is a risk of combustion. Form an explosive mixture with air.
Last Update：2024-01-02 23:10:35
BENZYL ALCOHOL (TECH) - Preparation Method
Open Data Verified Data
with benzyl chloride as raw material, under the catalysis of alkali heat hydrolysis obtained.
Last Update：2022-01-01 09:27:15
BENZYL ALCOHOL (TECH) - Standard
Authoritative Data Verified Data
This product shall contain no less than 8.0% of C 7H 80 calculated as anhydrous.
Last Update：2024-01-02 23:10:35
BENZYL ALCOHOL (TECH) - Trait
Authoritative Data Verified Data
- This product is a colorless liquid; With weak aroma and burning smell; There is a hygroscopicity.
- This product is dissolved in water, and can be mixed with ethanol, chloroform or ether.
relative density
The relative density of this product (General Rule 0 6 0 1) is 1. 043~1.0 5 0.
distillation range
take this product, according to the determination method of distillation range (General Rule 0 6 1 1 1), the amount of distillate at 2 0 3 to 2 0 6 C shall not be less than 9 5 % (m l /m l).
refractive index
The refractive index of this product (General Rule 0 6 2 2) is 1.5 3 8~1.5 4 1.
Last Update：2022-01-01 11:23:12
BENZYL ALCOHOL (TECH) - Use
Open Data Verified Data
benzyl alcohol is widely used in the production of industrial chemicals. For coating solvent, photographic developer, polyvinyl chloride stabilizer, medicine, synthetic resin solvent, vitamin B injection solvent, ointment or liquid preservative. It can be used as a dry agent for nylon filament, fiber and plastic film, a solvent for dye, cellulose ester and casein, and an intermediate for preparing benzyl ester or ether. Meanwhile, it is widely used for pen making (ballpoint pen oil), paint solvents, and the like. Benzyl alcohol is a very useful fixative, and is an indispensable fragrance in the blending of jasmine, moonrise and Ilan. For the preparation of soap, daily makeup flavor. But benzyl alcohol can be slowly natural oxidation, part of the production of benzaldehyde and benzyl ether, so that commercially available products often with almond flavor, it is not suitable for long storage.
Last Update：2022-01-01 09:27:15
BENZYL ALCOHOL (TECH) - Differential diagnosis
Authoritative Data Verified Data
- Take 2ml of potassium permanganate solution, add 2ml of dilute sulfuric acid solution, add 2-3 drops of this product, and shake, that is, the special odor of benzaldehyde occurs.
- The infrared absorption spectrum of this product should be consistent with the spectrum of the control (Spectrum set 236),
Last Update：2022-01-01 11:23:12
BENZYL ALCOHOL (TECH) - Safety
Open Data Verified Data
rat oral LD50:3.1g/kg. With anesthetic effect, the eye, upper respiratory tract, skin has a stimulating effect. Store in a cool, ventilated warehouse. Keep away from fire and heat source. Keep the container sealed. Should be stored separately from the oxidant, acid, alkali.
Last Update：2022-01-01 09:27:15
BENZYL ALCOHOL (TECH) - Exam
Authoritative Data Verified Data
acidity
take the test sample 1 0 m l, add human ethanol 10ml and phenolphthalein indicator liquid lm l, with sodium hydroxide titration solution (O .lm o l/U titration to solution pink, consumption of sodium hydroxide titration solution (0. lm o l/U must not pass 0. 2ml.
clarity and color of solution
take 2ml of this product, add 58ml of water, shake, check according to law (General rule 0901 and general rule 0902), the solution should be clear and colorless.
chloride
Take lg of this product and check it according to law (General Rule 0 8 0 1). Compared with the control solution made of 3. 0ml of standard sodium chloride solution, it should not be deeper (0. 003%).
Related substances
take this product as a test solution; Take the benzaldehyde reference substance suitable for Dong, precision weighing, acetone dissolved and diluted to make benzaldehyde in each lm l 0. 5mg solution as a control solution. According to the test of gas chromatography (General rule 0521), polyethylene glycol 2 0m is used as stationary liquid; Split injection, split ratio 20:1; Initial temperature is 50 ° C, the temperature was raised to 220°C at a rate of 5°C per minute for 35 minutes; The inlet temperature was 200°C; The detector temperature was 310°C; the sample solution and the reference solution of each 1M1 are injected into the gas chromatograph accurately, and the chromatogram is recorded. Any peak less than 0.0001% of the main peak area in the chromatogram of the sample solution is negligible. According to the external standard method to peak area calculation, containing benzaldehyde shall not pass 0 .1%, if there are other impurity peaks, according to the area normalization method, the single unknown impurity shall not exceed 0.02%, and the total amount of other impurities shall not exceed 0 .1%; For injection, according to the external standard method to calculate the peak area, containing benzaldehyde shall not exceed 0.05%, if there are other impurity peaks, calculated by area normalization method, single unknown impurities shall not pass 0.0 1%, the total amount of other impurities should not exceed 0.05%.
moisture
take this product, according to the determination of moisture (General rule 0832 first method 2), the water content shall not exceed 0 .5%.
bacterial endotoxin (for injection)
take this product, check according to law (General rule 1 1 4 3 ) , the amount of endotoxin per l g benzyl alcohol should be less than 0. 1EU.
Last Update：2022-01-01 11:23:13
BENZYL ALCOHOL (TECH) - Category
Authoritative Data Verified Data
pharmaceutical excipients, bacteriostatic agents, etc.
Last Update：2022-01-01 11:23:14
BENZYL ALCOHOL (TECH) - Storage
Authoritative Data Verified Data
light shielding, closed storage.
Last Update：2022-01-01 11:23:14
BENZYL ALCOHOL (TECH) - Reference Information
| FEMA | 2137 | BENZYL ALCOHOL |
| relative polarity | 0.608 |
| Henry's Law Constant | -7 at 25 °C (thermodynamic method-GC/UV, Altschuh et al., 1999) |
| LogP | 1.05 at 20℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| Overview | Benzyl alcohol is also called benzyl alcohol, with a molecular formula of C6H5CH2OH and a density of 1.045 g/mL at 25°C(lit.). It is the simplest fatty alcohol containing phenyl, which can be regarded as hydroxymethyl substituted benzene, or phenyl substituted methanol. It is a colorless, transparent and viscous liquid with a weak aromatic smell. Sometimes after benzyl alcohol is stored for a long time, it will be oxidized with benzaldehyde and bitter almond breath. It has polarity, low toxicity, and low vapor pressure, so it is used as an alcohol solvent. Flammable. Slightly soluble in water (about 1 gram of benzyl alcohol is soluble in 25 ml of water), and can be miscible with organic solvents such as ethanol, ether, benzene, and chloroform. Benzyl alcohol mainly exists in the form of free or ester in essential oils, such as jasmine oil, Elan oil, frangipani sesame oil, hyacinth oil, moonlit sesame oil, Peruvian balsam and tolu balsam contain this ingredient. Benzyl alcohol should not be stored for a long time. It can be slowly oxidized to benzaldehyde and anisole in the air. Therefore, commercially available benzyl alcohol products often have an almond fragrance characterized by benzaldehyde. In addition, benzyl alcohol is also easily oxidized to benzoic acid by various oxidants (such as concentrated nitric acid). Benzyl alcohol has an anesthetic effect and has a strong stimulating effect on the eyes, skin and respiratory system. Swallowing, inhaling or skin contact are harmful to the body. After ingestion, it can cause headache, nausea, vomiting, gastrointestinal irritation, convulsions, coma, and death in severe cases. The median lethal dose of rats was 1230mg/kg. After entering the human body, benzyl alcohol is first oxidized to benzoic acid, then condensed with glycine in the liver, and excreted in the form of hippuric acid. Intramuscular injection using benzyl alcohol as a solvent may cause gluteal muscle contracture. |
| function and use | benzyl alcohol is used as preservative for ointment, desiccant for fiber, nylon filament and plastic film, stabilizer for polyvinyl chloride, photographic developer, solvent for acetate fiber, ink, coating, paint, epoxy resin coating, dye, casein, shellac and gelatin, etc., to produce intermediate of benzyl ester or ether. It is also used to make fragrances and flavorings (mostly benzyl alcohol esters of fatty acids) as additives in soaps, perfumes, cosmetics and other products. Since it has almost the same refractive index as quartz and wool fibers, it is used as an identification agent for quartz and wool fibers. The hydroxyl group used as a fixer and diluent in the perfume industry is very active. It can react with benzene to form diphenylmethane, react with acrylonitrile to form N-benzyl acrylamide (Ritter reaction), and can also react with phosphorus halide and hydrogen Halide acid reacts to produce benzyl halide. Both benzyl halide and benzyl alcohol are benzyl (benzyl) reagents, which are used to add benzyl protecting groups to carboxylic acid and alcohol hydroxyl groups. The benzyl protecting group is easily removed by hydrogenation. In addition, benzyl alcohol is also easily oxidized to benzoic acid by a variety of oxidants. If oxidized with nitric acid, it can produce aldehydes or acids depending on the concentration and temperature. When injecting penicillin, in order to prevent patients from feeling too much pain, benzyl alcohol is often used for anesthesia, so the pain will not be too strong, so benzyl alcohol is also called "painless water". However, a common side effect was quickly discovered clinically: gluteal muscle contracture. This is because benzyl alcohol is not easy to be absorbed by the human body, and it will accumulate in the injection site for a long time, which will cause necrosis of the surrounding muscles. In severe cases, it may even affect the development of bones. In 2005, the State Food and Drug Administration issued a document prohibiting the use of benzyl alcohol as a penicillin solvent for injection. |
| Uses | Used as raw materials and fixtures for spices, pharmaceutical raw materials and anesthetics, preservatives, dyeing auxiliaries, solvents for coatings and inks, and used for making ballpoint pen oil Used as chromatographic analysis reagent, also used in organic synthesis Used to prepare flower sesame oil and drugs, etc, it is also used as a solvent and fixer for spices It exists in many essential oils of fragrant flowers, so it can be used as a compounding agent and benzyl acetate for jasmine, gardenia, lilac, ylang-ylang, tuberose, hyacinth, Acacia and other floral types, It also has the effect of fixing fragrance. It is also often used as a solvent to dissolve artificial musk and other spices. It is also often used as an edible spice. It is used in cherry, grape, honey, sweet orange, rubus, walnut, vanilla bean and other edible flavors. Br> Benzyl alcohol is a edible spice temporarily allowed in our country. It is mainly used in fruit flavors such as almonds, sweet oranges, cherries, grapes, strawberries, etc. The dosage is 1200 mg/kg in chewing gum according to normal production requirements. 220 mg/kg in baked food; 160 mg/kg in cold drinks; 47 mg/kg in candy; 15 mg/kg in soft drinks. Br> benzyl alcohol is a very useful fixative, is jasmine, moonlit incense, Eland and other essential spices. Used to prepare soap and daily makeup essence. But benzyl alcohol can slowly and naturally oxidize, and part of it produces benzaldehyde and benzyl ether, so that commercially available products often have almond fragrance, so it is not suitable for long storage. Benzyl alcohol is widely used in the production of industrial chemicals. Used as coating solvent, photographic developer, polyvinyl chloride stabilizer, medicine, synthetic resin solvent, vitamin B injection solvent, preservative of ointment or liquid medicine. It can be used as a desiccant for nylon yarn, fiber and plastic film, a solvent for dyes, cellulose esters and casein, and an intermediate for the preparation of benzyl esters or ethers. At the same time, it is widely used in making pens (ballpoint pen oil), paint solvents, etc. GB 2760-1996 regulations are temporarily allowed to use edible spices. It is also a fixative and grease solvent. As a spice, it is mainly used to prepare berries, nuts and other flavors. organic synthesis, gelatin, casein (hot), cellulose acetate and shellac and other solvents, microscope with embedding materials, measuring the content of vitamin B12. |
| production method | benzyl chloride and potassium carbonate or sodium carbonate are hydrolyzed by heating for a long time. The methanol solution of benzaldehyde is obtained by reacting with sodium hydroxide solution at 65~75 ℃. The finished product has high purity. Using benzyl chloride as raw material, it is obtained by heating and hydrolysis under the catalysis of alkali. Specifications of flavor benzyl alcohol (QB792-81): relative density 1.041-1.046, refractive index 1.538-1.541, boiling range 203-206 ℃ distillation amount above 95%, solubility completely dissolved in 30 times capacity distilled water, alcohol content ≥ 98%, chlorine test (N.F) as side reaction. Raw material consumption quota: benzyl chloride 1600kg/t, soda ash 1000kg/t. Br> benzyl alcohol naturally exists in orange blossom, ylang ylang, jasmine, gardenia, acacia, lilac and hyacinth, and is prepared from chlorobenzyl or benzaldehyde as raw materials in industry. Benzyl chloride was added to the 12% soda ash solution, heated to 93 ℃, stirred for 5h, and then heated to 101~103 ℃ to continue the reaction for 10h. After the reaction, cool to room temperature, add salt to saturation, let it stand and stratify, take the upper liquid and distill it under pressure to obtain crude product, and then refine it to obtain the finished product. The yield is 70% ~ 72%. C6H5CH2Cl + H2O[Na2CO3]→ C6H5CH2OH + NaCl + CO2 ↑ Benzyl alcohol was prepared by disproportionation reaction between formaldehyde and benzaldehyde in the presence of sodium hydroxide. C6H5CHO+HCHO[NaOH]→C6h5CH2OH+HCOONa |
| category | flammable liquid |
| toxicity classification | poisoning |
| acute toxicity | oral-rat LD50: 1230 mg/kg; Oral-mouse LD50: 1360 mg/kg |
| stimulation data | skin-rabbit 10 mg/24 hours mild; Eye-rabbit 0.75 mg severe |
| dangerous characteristics of explosives | at 180 ℃, it is mixed with sulfuric acid to decompose and explode. Above 100 ℃, hydrogen bromide and iron catalyzed polymerization heat |
| flammability hazard characteristics | flammable; combustion produces stimulating smoke |
| storage and transportation characteristics | warehouse ventilation and low temperature drying |
| fire extinguishing agent | dry powder, foam, sand, water |
| occupational standard | STEL 5 mg/m3 |
| auto-ignition temperature | 817 °F |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 21:04:16
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Raw Materials for BENZYL ALCOHOL (TECH)
Downstream Products for BENZYL ALCOHOL (TECH)