BUTYL ACETATE WITH GC
n-Butyl acetate
CAS: 123-86-4
Molecular Formula: C6H12O2
BUTYL ACETATE WITH GC - Names and Identifiers
| Name | n-Butyl acetate |
| Synonyms | Butyl Acetate n-Butyl acetate Butyl ethanoate BUTYLACETAT 85 P. N-BUTYLACETATEESTER BUTYL ACETATE WITH GC Essigsure-n-butylester Acetic acid butyl ester Acetic acid n-butyl ester |
| CAS | 123-86-4 |
| EINECS | 204-658-1 |
| InChI | InChI=1/C6H12O2/c1-3-4-5-8-6(2)7/h3-5H2,1-2H3 |
| InChIKey | DKPFZGUDAPQIHT-UHFFFAOYSA-N |
BUTYL ACETATE WITH GC - Physico-chemical Properties
| Molecular Formula | C6H12O2 |
| Molar Mass | 116.16 |
| Density | 0.88 g/mL at 25 °C (lit.) |
| Melting Point | -78 °C (lit.) |
| Boling Point | 124-126 °C (lit.) |
| Flash Point | 74°F |
| JECFA Number | 127 |
| Water Solubility | 0.7 g/100 mL (20 ºC) |
| Solubility | 5.3g/l |
| Vapor Presure | 15 mm Hg ( 25 °C) |
| Vapor Density | 4 (vs air) |
| Appearance | Liquid |
| Specific Gravity | 0.883 (20/20℃) |
| Color | ≤10(APHA) |
| Odor | Characteristic; agreeable fruity (in low concentrations); non residual. |
| Exposure Limit | TLV-TWA 150 ppm (～710 mg/m3) (ACGIH,MSHA, and OSHA); TLV-STEL 200 ppm(～950 mg/m3); IDLH 10,000 ppm (NIOSH). |
| Maximum wavelength(λmax) | ['λ: 254 nm Amax: 1.0', , 'λ: 260 nm Amax: 0.20', , 'λ: 275 nm Amax: 0.04', , 'λ: 300 |
| Merck | 14,1535 |
| BRN | 1741921 |
| PH | 6.2 (5.3g/l, H2O, 20℃)(External MSDS) |
| Storage Condition | Store at +5°C to +30°C. |
| Stability | Stable. Flammable. Incompatible with strong oxidizing agents, strong acids, strong bases. |
| Explosive Limit | 1.4-7.5%(V) |
| Refractive Index | n20/D 1.394(lit.) |
| Physical and Chemical Properties | Colorless flammable liquid with pleasant fruit aroma. boiling point 126 ℃ freezing point -77.9 ℃ relative density 0.8825 refractive index 1.3951 flash point 33 ℃ solubility, an organic solvent such as an ether is miscible, and is less soluble in water than a lower homolog. colorless liquid with fruit aroma. Relative density (20 ℃/4 ℃)0.8825, freezing point -73.5 ℃, boiling point 126.11 ℃, Flash Point (opening) 33 ℃, ignition point 421 ℃, refractive index 1. 3941, specific heat capacity (20 deg C) 1. 91KJ/(kg, K), viscosity (20 degrees C) 0.734mPas, solubility parameter delta = 8.5. Soluble in alcohol, ketone, ether and other organic solvents, slightly soluble in water. In case of high heat, open flame, oxidant has caused the risk of combustion. The vapor forms an explosive mixture with air with an explosion limit of 1.4%-8.0%(vol). Low toxicity, anesthesia and irritation, the highest allowable concentration in the air 300mg/m3(or 0.015%). |
| Use | For colloids, nitrocellulose, varnish, leather, medicine, plastics and spices industry. It is an excellent organic solvent, which can dissolve Rosin, polyvinyl acetate, polyacrylate, polyvinyl chloride, chlorinated rubber, Eucommia ulmoides gum, polymethyl methacrylate and so on. |
BUTYL ACETATE WITH GC - Risk and Safety
| Risk Codes | R10 - Flammable R66 - Repeated exposure may cause skin dryness or cracking R67 - Vapors may cause drowsiness and dizziness |
| Safety Description | S25 - Avoid contact with eyes. |
| UN IDs | UN 1123 3/PG 3 |
| WGK Germany | 1 |
| RTECS | AF7350000 |
| TSCA | Yes |
| HS Code | 2915 33 00 |
| Hazard Class | 3 |
| Packing Group | III |
| Toxicity | LD50 orally in rats: 14.13 g/kg (Smyth) |
BUTYL ACETATE WITH GC - Upstream Downstream Industry
| Raw Materials | Acetic acid Sodium carbonate Acetic acid 1-Butanol Ethyl Alcohol 1-Butanol |
| Downstream Products | Toluenediisocyanate diketene Polyurethane |
BUTYL ACETATE WITH GC - Reference Information
Open Data Unverified Data
| FEMA | 2174 | BUTYL ACETATE |
| olfactory Threshold | 0.016ppm |
| freezing point | -77.9 ℃ |
| Henry's Law Constant | 5.79 at 37 °C (static headspace-GC, van Ruth et al., 2001) |
| LogP | 1.82-2.3 at 25℃ |
| NIST chemical information | information provided by: webbook.nist.gov (external link) |
| EPA chemical substance information | information provided by: ofmpeb.epa.gov (external link) |
| Introduction | butyl acetate is a carboxylic acid ester synthetic fragrance, also known as butyl acetate, colorless transparent liquid with strong fruit aroma, with ethanol, ether any miscible, soluble in most organic solvents, slightly soluble in water, solubility in water for 0.05g. Its vapor has a weak anesthetic effect, and the allowable concentration in the air is 0.2g/l. This product has a strong fruit aroma, diluted with a pleasant pineapple, banana-like aroma, persistent poor. Naturally occurring in many vegetables, fruits, and berries. Butyl acetate is less used in the daily chemical flavor, mainly used in food flavor formula. butyl acetate has four isomers. That is, n-butyl acetate, isobutyl acetate, SEC-butyl acetate, tert-butyl acetate, they all exist in nature. More important of them are n-butyl acetate and isobutyl acetate. n-butyl acetate is a colorless transparent liquid. There are fruit aroma. It was hot and then sweet. Volatile. Flammable. Found in nature in apples, bananas, cherries, grapes, peach, plum, pear, tomato and cocoa beans. |
| Application | n-butyl acetate is a spice raw material for the preparation of banana, pineapple, apricot, peach and strawberry fruit flavor, for food, for the provisions of our country GB2760-1996 can be used in edible spices; Natural rubber, synthetic resin, nitric acid fiber, artificial leather, photographic film base, plastic, spices and pharmaceutical solvents. |
| acetic acid ester solvent | acetic acid ester solvent in solvent-based ink for adjusting the viscosity, volatile rate, printability and other properties play an important role, generally not used alone. Therefore, it is necessary to understand the compatibility of Acetic Acid Ester solvents with other solvents. acetic acid ester solvent is a solvent commonly used in solvent-based ink, mainly the low carbon fatty alcohol ester of acetic acid, especially ethyl acetate and butyl acetate, and butyl acetate is the standard solvent for measuring the relative volatilization rate of solvent. |
| purification of butyl acetate | analysis is commonly used as solvent, extractant. Butyl acetate generally contains ethanol, acetic acid and water. purification method of butyl acetate (1) vacuum distillation butyl acetate is washed with equal volume sodium carbonate solution (5%), dried with anhydrous calcium chloride, when drying is critical, phosphorus pentoxide may be added for drying, filtration, and distillation under moisture exclusion. It can also be extracted and washed twice with a saturated sodium bicarbonate solution, dried over anhydrous magnesium sulfate and then distilled. The distillation apparatus is shown in Figure 1. Figure 1 vacuum distillation device for butyl acetate 1-water bath; 2-1000ml Claisen flask; 3-capillary tube; 4-thermometer; 0~100 ℃;5-spherical condenser tube; 6-receiver; 7-heating ring; 8-connected to voltage regulating transformer; 9-connected to vacuum pump; a, B- two-way piston; c-three-way piston place 500ml of the washed and dried butyl acetate in the flask, connect the distillation unit, open the Pistons a, B, c, and activate the vacuum pump to draw out the air in the system, when the pressure in the system reaches 7998Pa, turn on the constant temperature water bath power supply, control the temperature at 60~70 ℃, distillation speed, 1~2 drops/s, after 50 ~ 60ml, close the piston a, connect the piston c to the atmosphere, remove the receiving bottle, discard the first distillate, install and switch on the c, connect the receiving bottle with the pump, and continue the distillation, when 300 ~ of distillate is distilled off, the distillation is stopped, and the middle fraction is the purified product. Note that the temperature of the water bath should be determined by the degree of vacuum, and the distillation rate should be taken as the standard. (2) recovery of butyl acetate The spent butyl acetate waste liquid was washed with water in a separating funnel for several times, and then washed with sodium thiosulfate dilute solution for several times to discolor, then it is washed with water several times, and then purified by (1) distillation. |
| content analysis | approximately 1.5g of sample was weighed accurately and placed in a ml conical flask. 25.0ml of 1 mol/L potassium hydroxide solution and 25ml of anhydrous isopropyl alcohol were added, and the mixture was stirred until all of them were dissolved. At room temperature for 30min. About 1 ml of phenolphthalein test solution (TS-167) was added and titrated with 0.5mol/L sulfuric acid until a pink color appeared. A blank test was also performed. Each ml of 0.5mol/L sulfuric acid corresponds to 58.08mg of butyl acetate (C6H12O2). Or as GT-10-4 with non-polar column determination. |
| safety information | when in high concentration, it is irritating, harmful to eyes and skin, and narcotic. The maximum allowable concentration in the workplace is 200 × 10-6. Rat oral ld5014130 mg/kg. |
| toxicity | ADI is not specified (FAO/WHO,1994). LD50 14.13g/kg (rat, oral). |
| usage limit | FEMA(mg/kg): soft drinks 11; Cold drinks 16; Candy 32; Baked goods 32; pudding 13; Gum 220. Moderate limits (FDA § 172.515,2000). |
| Use | is an excellent organic solvent, widely used in nitrocellulose varnish, fabrics and plastics used as a solvent in the processing process, but also for the perfume industry GB 2760 a 96 provisions for the allowed use of edible spices. As spices, a large number of used in the preparation of banana, pear, pineapple, apricot, peach and strawberry, berry flavor. It can also be used as a solvent for natural gums and synthetic resins. when used in fruit flavor, it mainly takes the performance of good diffusion power, which is more suitable for the use of head flavor, but the dosage should be less, so as not to be alone and affect the effect. Can be used in a large number of such as apricot, banana, peach, pear, pineapple, Rubus, strawberry and other food flavors. excellent organic solvents for cellulose acetate butyrate, ethyl cellulose, chlorinated rubber, polystyrene, methacrylic resin and many natural resins such as tannin extract, Manila gum, damal resin and the like have good solubility. Widely used in nitrocellulose varnish, used as a solvent in the processing of artificial leather, fabrics and plastics, used as an extractant in various petroleum processing and pharmaceutical processes, also used in spices and apricot, banana, pear, pineapple and other components of various flavors. It is used in colloids, nitrocellulose, varnish, artificial leather, medicine, plastics and perfume industries. It is an excellent organic solvent, which can dissolve Rosin, polyvinyl acetate, polyacrylate, polyvinyl chloride, chlorinated rubber, Eucommia ulmoides gum, polymethyl methacrylate and so on. used as analytical reagents, chromatographic analysis of standard substances and solvents commonly used organic solvents, determination of thallium, tin and tungsten, determination of molybdenum and rhenium, antibiotic extractant. |
| production method | is obtained by esterification of acetic acid with n-butanol in the presence of sulfuric acid. Butyl alcohol, acetic acid and sulfuric acid are put into the esterification kettle in proportion, esterification is carried out at 120 ℃, and the acid value during esterification is controlled to be below 0.5 through reflux dehydration. The obtained crude ester is neutralized and then enters the distillation kettle, after distillation, condensation and separation, reflux dehydration is carried out to recover the alcohol ester, and finally the product is obtained by distillation below 126 ℃. The production process has a continuous method and batch method, depending on the scale of production. Raw material consumption quota: Acetic acid (98%)540kg/t, n-butanol 650kg/t. In recent years, the development and application of solid acid, Heteropoly acid instead of sulfuric acid catalyst, in order to reduce the corrosion of equipment research reports are increasing, but there is no successful report for industrial production. obtained by esterification of n-butanol with acetic acid under sulfuric acid catalysis followed by neutralization with sodium carbonate followed by fractionation. |
| category | flammable liquid |
| toxicity grade | low toxicity |
| Acute toxicity | oral-rat LD50:10768 mg/kg; Oral-mouse LD50: 7076 mg/kg |
| stimulation data | Skin-rabbits 500 mg/24 h moderate; eye-rabbit 500 mg/24 h mild |
| explosive hazard characteristics | explosive when mixed with air |
| flammability hazard characteristics | in case of open flame, high temperature, flammable oxidant; Spicy and stimulating smoke produced by combustion; spontaneous combustion in contact with tert-butyl potassium oxide |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; It is stored separately from the oxidant |
| extinguishing agent | dry powder, carbon dioxide, foam |
| Occupational Standard | TWA 700 mg/m3; Tel 875 mg/m3 |
| spontaneous combustion temperature | 790 ° F. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
| immediate life-and health-threatening concentrations | 1,700 ppm |
Last Update：2024-04-09 19:43:38
BUTYL ACETATE WITH GC - Nature
Open Data Verified Data
colorless transparent liquid. Aromatic odor. Can be miscible with ethanol, ether and general organic solvents, soluble in hydrocarbons. Dissolve in about 120 parts of water at 25 °c. Flammable. Vapor can form an explosive mixture with air, and the explosion limit is 1.4% to 8.0% (volume). Irritating. There is a high concentration of anesthesia. Combustion explosion was caused by open flame and high heat energy. A strong reaction with an oxidizing agent can occur.
Last Update：2024-01-02 23:10:35
BUTYL ACETATE WITH GC - Preparation Method
Open Data Verified Data
from acetic acid and n-butanol in the presence of sulfuric acid esterification.
Last Update：2022-01-01 09:26:00
BUTYL ACETATE WITH GC - Use
Open Data Verified Data
Analytical reagents and solvents for the determination of thallium, tin, tungsten, molybdenum and rhenium. It is also used in the manufacture of artificial leather, photographic film, plastic and safety glass.
Last Update：2022-01-01 09:26:01
BUTYL ACETATE WITH GC - Safety
Open Data Verified Data
rat oral LDs50; 14.13g/kg, the eyes and upper respiratory tract have a strong stimulating effect, there is a role of anesthesia. Mixing with oxidant, acids, alkalis and edible chemicals is strictly prohibited. Store in a cool, ventilated warehouse. Keep away from fire and heat source. The bin temperature should not exceed 30 ℃. Protection from direct sunlight. Keep the container sealed.
Last Update：2022-01-01 09:26:01
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View History
BUTYL ACETATE WITH GC
L-酪氨酸甲脂
2-AMINO-8-ETHYL-4-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE
2-氰基-5-甲磺酰基吡啶
4-马来酰亚胺丁酰肼
3aH-Cyclopenta[b]furan-3a-carboxylicacid,hexahydro-6a-methoxy-,methylester(9CI)
2-硝基间苯二甲酸二甲酯
替诺福韦艾拉酚胺富马酸半盐
西洛他唑相关物质C USP标准品
叔丁氧羰基三聚乙二醇羟基
L-酪氨酸甲脂
2-AMINO-8-ETHYL-4-METHYLPYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONE
2-氰基-5-甲磺酰基吡啶
4-马来酰亚胺丁酰肼
3aH-Cyclopenta[b]furan-3a-carboxylicacid,hexahydro-6a-methoxy-,methylester(9CI)
2-硝基间苯二甲酸二甲酯
替诺福韦艾拉酚胺富马酸半盐
西洛他唑相关物质C USP标准品
叔丁氧羰基三聚乙二醇羟基
Raw Materials for BUTYL ACETATE WITH GC
Downstream Products for BUTYL ACETATE WITH GC