110-19-0
Isobutyl Acetate
CAS: 110-19-0
Molecular Formula: C6H12O2
110-19-0 - Names and Identifiers
| Name | Isobutyl Acetate |
| Synonyms | Isobutyl Acetate Isolbutyl acetate iso-Butyl acetate ISOBUTYL ACETATE(SG) Essigsureisobutylester 2-Methylpropyl acetate ISOBUTYL ACETATE WITH GC 2-Methyl-1-propyl acetate ISOBUTYL ACETATE, NATURAL Acetic acid iso-butyl ester Isobutyl acetate, FCC and food grade isobutylacetate,2-methylpropylacetate |
| CAS | 110-19-0 |
| EINECS | 203-745-1 |
| InChI | InChI=1/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3 |
110-19-0 - Physico-chemical Properties
| Molecular Formula | C6H12O2 |
| Molar Mass | 116.16 |
| Density | 0.867 g/mL at 25 °C (lit.) |
| Melting Point | -99 °C (lit.) |
| Boling Point | 115-117 °C (lit.) |
| Flash Point | 71°F |
| JECFA Number | 137 |
| Water Solubility | 7 g/L (20 ºC) |
| Solubility | water: soluble5.6g/L at 20°C |
| Vapor Presure | 15 mm Hg ( 20 °C) |
| Vapor Density | >4 (vs air) |
| Appearance | Liquid |
| Color | Clear |
| Odor | Agreeable fruity odor in low concentrations, disagreeable in higher concentrations; mild, characteri |
| Exposure Limit | TLV-TWA 150 ppm (～700 mg/m3) (ACGIH,MSHA, and OSHA); IDLH 7500 ppm(NIOSH). |
| Merck | 14,5130 |
| BRN | 1741909 |
| PH | 5 (4g/l, H2O, 20℃) |
| Storage Condition | Store below +30°C. |
| Explosive Limit | 2.4-10.5%(V) |
| Refractive Index | n20/D 1.39(lit.) |
| Physical and Chemical Properties | Traits a water-white liquid with a soft fruit Ester aroma. melting point -98.6 ℃ boiling point 117.2 ℃ relative density 0.8712 refractive index 1.3902 flash point 18 ℃ solubility, ether and hydrocarbons and other organic solvents miscible. |
| Use | Mainly used as a diluent for Nitro paint and vinyl chloride paint, can also be used as a solvent, can also be used as a diluent for plastic printing paste, pharmaceutical industry, etc |
110-19-0 - Risk and Safety
| Hazard Symbols | F - Flammable |
| Risk Codes | R11 - Highly Flammable R66 - Repeated exposure may cause skin dryness or cracking |
| Safety Description | S16 - Keep away from sources of ignition. S23 - Do not breathe vapour. S25 - Avoid contact with eyes. S29 - Do not empty into drains. S33 - Take precautionary measures against static discharges. |
| UN IDs | UN 1213 3/PG 2 |
| WGK Germany | 1 |
| RTECS | AI4025000 |
| TSCA | Yes |
| HS Code | 2915 39 00 |
| Hazard Class | 3 |
| Packing Group | II |
| Toxicity | LD50 orally in Rabbit: 13400 mg/kg LD50 dermal Rabbit > 17400 mg/kg |
110-19-0 - Environmental behavior
- hazard characteristics: flammable, the vapor and air can form an explosive mixture. Combustion explosion was caused by open flame and high heat energy. A strong reaction with an oxidizing agent can occur. Its vapor is heavier than air, and it can diffuse to a fairly far place at a lower point, and it will lead back to ignition in the event of an open flame.
- combustion (decomposition) products: carbon monoxide, carbon dioxide.
Last Update：2024-04-10 22:29:15
110-19-0 - Harmfulness
- invasive route: inhalation, ingestion and percutaneous absorption.
- health hazards: the vapor is irritating to the eye and upper respiratory tract. High concentration inhalation has anesthetic effect, causing Head Pain, dizziness, Nausea, Vomit, etc. A large number of oral causes Head Pain, Nausea, Vomit, and even Coma. The skin is irritant when exposed for a long time.
- Acute toxicity: ld5015400 mg/kg (Rat oral);4763mg/kg (rabbit oral)
Last Update：2024-04-10 22:29:15
110-19-0 - Detection and protection
monitoring method
site emergency monitoring methods
gas detector tube method
laboratory monitoring methods
hydroxylamine-ferric chloride colorimetric method "determination of harmful substances in air" (second edition), edited by hang Shiping
In Air: After the sample is adsorbed with activated carbon, it is eluted with carbon disulfide, and then analyzed by gas chromatography
Environmental Standards
The maximum allowable concentration of harmful substances in the air of workshops in the former Soviet Union is 200mg/m3
The former Soviet Union (1975) maximum allowable concentration of harmful substances in water 0.1mg/L
emergency treatment of leakage
prompt evacuation of personnel from the leakage contaminated area to the safety zone, and Isolation, strict restrictions on access. Cut off the fire source. Emergency personnel are advised to wear self-contained positive pressure respirator and fire protective clothing. The leakage source shall be cut off as far as possible to prevent entry into restricted spaces such as drains and flood drains. Small leakage: adsorption or absorption by sand or other incombustible materials. Can also be washed with a large amount of water, washing water diluted into the wastewater system. Large amount of leakage: Construction of embankment or excavation for accommodation; Cover with foam to reduce steam disaster. The explosion-proof pump is transferred to the tank car or a special collector for recycling or transportation to the waste treatment site for disposal.
Protection Measure
Respiratory Protection: Wear a self-priming filter mask (half mask) when possible contact with its vapor. In case of emergency rescue or evacuation, it is recommended to wear an air respirator.
eye protection: wear chemical safety glasses.
body protection: wear anti-static work clothes.
hand protection: wear anti-benzene oil-resistant gloves.
Other: no smoking at work site. After work, take a shower and change clothes. Pay attention to personal hygiene.
first aid measures
Skin Contact: remove contaminated clothing and rinse the skin thoroughly with soap and water.
eye contact: lift the eyelid and rinse with running water or saline. The patient visited hospital.
inhalation: rapid departure from the scene to fresh air. Keep airway unobstructed. Such as Dyspnea, to the delivery of oxygen. If breathing stops, perform artificial respiration immediately. The patient visited hospital.
ingestion: drink enough warm water to induce vomiting. The patient visited hospital.
fire fighting measures
fire extinguishing method: fire extinguishing agent: Foam, carbon dioxide, dry powder, sand. Water is not effective in extinguishing the fire, but water can be used to keep the container in the fire field cool.
Last Update：2024-04-10 22:29:15
110-19-0 - Supplementary Information
| chemical properties | a water-white liquid with a soft fruit Ester flavor. Miscible with alcohols, ethers and hydrocarbons and other organic solvents. |
| purpose | mainly used as a diluent for Nitro paint and perchloroethylene paint, can also be used as a solvent, and can also be used as a diluent for plastic printing paste, an extractant for the pharmaceutical industry, etc. |
| purpose | solvents for nitrocellulose and paints. The product has the aroma of raw pear and basin, often used as fruit flavor, used to blend banana, pineapple, basin and pear flavor. It is also used as a formulation of a rose. |
| purpose | used as a diluent for Nitro paint and perchloroethylene paint, can also be used as a solvent, and can also be used as a diluent for plastic printing paste and an extractant for the pharmaceutical industry; GB 2760 a 96 regulation for the permitted use of edible spices. Mainly used in the preparation of banana, raspberry, strawberry and cream flavor; Nitrocellulose and paint solvents. The product has the aroma of raw pear and basin, often used as fruit flavor, used to blend banana, pineapple, basin and pear flavor. It is also used as a formulation of a rose. |
| purpose | organic solvent, nitrocellulose and lacquer solvent, extractant, dehydrating agent. Used in the industries of colloids, nitrocellulose, varnishes, artificial leather, pharmaceuticals, plastics and fragrances. |
| production method | is obtained by esterification of isobutanol with acetic anhydride in the presence of sulfuric acid. Sulfuric acid was added dropwise after acetic anhydride and isobutanol were mixed, and heated and refluxed for 5-6h after cooling slightly. The refluxing solution was washed with water for 2-3 times, neutralized with sodium carbonate, washed with water until neutral, and dried with calcium chloride, the final product was obtained by fractional distillation under reduced pressure in an oil bath. |
| production method | results from the direct esterification of isobutanol with acetic acid in the presence of a catalyst. |
| category | flammable liquid |
| toxicity classification | low toxicity |
| Acute toxicity | oral-rat LD50: 13400 mg/kg |
| stimulation data | Skin-rabbit 500 mg/24 h moderate; Eye-rabbit 500 mg/24 h moderate |
| explosive hazard characteristics | mixture with air can burst |
| flammability hazard characteristics | in case of open flame, high temperature, oxidant flammable; Combustion stimulation smoke |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; It is stored separately from the oxidant |
| extinguishing agent | dry powder, dry sand, carbon dioxide, foam, 1211 extinguishing agent |
| Occupational Standard | TWA 7000 mg/m3; Tel 875 mg/m3 |
Last Update：2024-04-09 21:31:46
110-19-0 - Limit of use
use limit FEMA(mg/kg): Soft drink 11; Cold drink 16; Candy 36; Baked goods 35; Pudding 170; Gum 860; Coating 5.5.
Moderate limit (FDA & sect;172.515,2000).
maximum allowable amount of food additive, maximum allowable residue
The Chinese name of the additive is allowed to use the Chinese name of the food additive function maximum allowable usage (g/kg) maximum allowable residue (g/kg)
Isobutyl acetate food flavourings food flavourings used in the preparation of fragrances shall not exceed the maximum allowable use and the maximum allowable residue in GB 2760
Last Update：2024-04-09 18:58:34
110-19-0 - Reference Information
| FEMA | 2175 | ISOBUTYL ACETATE |
| pH range of acid-base indicator discoloration | 7 |
| olfactory Threshold | 0.008ppm |
| Henry's Law Constant | (x 10-4 atm?m3/mol):4.85 at 25 °C (approximate - calculated from water solubility and vapor pressure) |
| LogP | 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) |
| Product description | Isobutyl acetate, also known as Isobutyl acetate, is the esterification product of acetic acid and 2-butanol, water-white liquid with soft fruit Ester flavor, slightly soluble in water, miscible in ethanol, ether, miscible with alcohol, ether, hydrocarbon and other organic solvents, mainly used as a diluent for Nitro paint and vinyl chloride paint, nitrocellulose and paint solvents, but also as a substitute solvent for butyl acetate and methyl isobutyl ketone, also used as a fragrance component, plastic printing paste diluent, extractants for the pharmaceutical industry, etc. SEC-butyl acetate has good solubility to many substances, and the solubility is similar to that of n-butyl acetate and isobutyl acetate. It can be used as a solvent in the manufacture of nitrocellulose paint, acrylic paint, polyurethane paint, etc, artificial leather coatings, automotive coatings, etc. N-butyl acetate and isobutyl acetate can be widely substituted in coating formulations. SEC-butyl acetate can be used to dissolve cellulose acetate butyrate in metallic flash paints to give 15% to 20% solutions. |
| Industrial application | isobutyl acetate has strong solubility, which is mainly used as a diluent for Nitro paint, perchloroethylene paint and plastic printing paste, it may also be used as a solvent. Because of its fruit aroma and flower aroma, it is also often used as a fruit flavor, which is used as a change in rose flavor. Isobutyl acetate and n-butyl acetate and methyl isobutyl ketone solvent properties are similar, and therefore in many cases can also be used instead of their use. It also forms the lowest azeotrope with water and can be used as an azeotroping agent in azeotropic distillation processes. In the azeotropic distillation process of industrial production of terephthalic acid, isobutyl acetate was added as an azeotropic agent, and the reaction by-product water was continuously removed to promote the reaction and improve the yield and quality of terephthalic acid. |
| assay | was determined by method one in the ester determination method (OT-18). The amount of the sample was 1G. The equivalence factor (e) in the calculation is taken as 58.08. Or by gas chromatography (GT-10-4) using a non-polar column method. |
| toxicity | LD50 13400 mg/kg (rat, oral). GRAS(FEMA). |
| usage limit | FEMA(mg/kg): Soft drink 11; Cold drink 16; Candy 36; Baked goods 35; pudding 170; Gum 860; Coating 5.5. Moderate limits (FDA § 172.515,2000). |
| Use | isobutyl acetate is mainly used as a diluent for Nitro paint and perchloroethylene paint, and can also be used as a solvent, it can also be used as a diluent for plastic printing paste and an extractant for pharmaceutical industry. For colloids, nitrocellulose, varnish, leather, medicine, plastics and spices industry. GB 2760 a 96 regulation for the permitted use of edible spices. Isobutyl acetate has the aroma of raw pear and raspberry, often used as fruit flavor, used to blend banana, raspberry, pineapple, strawberry, cream, raspberry and pear flavor. It is also used as a formulation of a rose. |
| production method | is obtained by direct esterification of isobutanol with acetic anhydride in the presence of a sulfuric acid catalyst. Sulfuric acid was added dropwise after acetic anhydride and isobutanol were mixed, and heated and refluxed for 5-6h after cooling slightly. The refluxing solution was washed with water for 2-3 times, neutralized with sodium carbonate, washed with water until neutral, and dried with calcium chloride, the isobutyl acetate product was obtained by fractional distillation under reduced pressure in an oil bath. |
| category | flammable liquid |
| toxicity grade | low toxicity |
| Acute toxicity | oral-rat LD50: 13400 mg/kg |
| stimulation data | Skin-rabbits 500 mg/24 h moderate; eye-rabbit 500 mg/24 h moderate |
| explosive hazard characteristics | explosive when mixed with air |
| flammability hazard characteristics | in case of open flame, high temperature, flammable oxidant; Combustion stimulus smoke |
| storage and transportation characteristics | The warehouse is ventilated and dried at low temperature; It is stored separately from the oxidant |
| extinguishing agent | dry powder, dry sand, carbon dioxide, foam, 1211 extinguishing agent |
| occupational standard | TWA 7000 mg/m3; Tel 875 mg/m3 |
| spontaneous combustion temperature | 793 ° F. |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
| immediate life-and health-threatening concentrations | 1,300 ppm [10% LEL] |
Last Update：2024-04-09 02:00:04
110-19-0 - Introduction
Main Entry: Ester
isobutyl acetate (isobutyl acetate), also known as "isobutyl acetate", is the esterification product of acetic acid and 2-butanol, colorless transparent liquid at room temperature, miscible with ethanol and ether, slightly soluble in water, flammable, with mature fruit aroma, mainly used as a solvent for nitrocellulose and lacquer, as well as chemical reagents and flavoring.
isobutyl acetate has typical properties of esters, including hydrolysis, alcoholysis, aminolysis; Addition with Grignard reagent (Grignard reagent) and alkyl lithium, reduced by catalytic hydrogenation and lithium aluminum hydride (lithium aluminum hydride); Claisen condensation reaction with itself or with other esters (Claisen condensation). Isobutyl acetate can be qualitatively detected with hydroxylamine hydrochloride (NH2OH · HCl) and ferric chloride (FeCl ), other esters, acyl halides, the anhydride will affect the assay.
Last Update：2024-04-09 21:04:16
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