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CAS NO.110-19-0
| Isobutyl acetate Basic information |
| Product Name: | Isobutyl acetate |
| Synonyms: | 2-Methylpropyl ethanoate;2-Methylpropylethanoate;Acetate d'isobutyle;acetated’isobutyle;acetated’isobutyle(french);Acetic acid, 2-methylpropyl ester;Aceticacid,2-methylpropylester;aceticacid2-methylpropylester |
| CAS: | 110-19-0 |
| MF: | C6H12O2 |
| MW: | 116.16 |
| EINECS: | 203-745-1 |
| Product Categories: | ester Flavor;Alpha Sort;Alphabetic;Chemical Class;E-LAnalytical Standards;EstersAnalytical Standards;I;Volatiles/ Semivolatiles;Alphabetical Listings;Certified Natural ProductsFlavors and Fragrances;Flavors and Fragrances;I-L;Pharmaceutical intermediates |
| Mol File: | 110-19-0.mol |
|
|
|
| Isobutyl acetate Chemical Properties |
| mp | -99 °C |
| bp | 116 °C |
| density | 0.873 |
| vapor density | >4 (vs air) |
| vapor pressure | 15 mm Hg ( 20 °C) |
| refractive index |
n |
| FEMA | 2175 |
| Fp | 71 °F |
| storage temp. | Flammables area |
| Water Solubility | 7 g/L (20 ºC) |
| Merck | 14,5130 |
| BRN | 1741909 |
| CAS DataBase Reference | 110-19-0(CAS DataBase Reference) |
| NIST Chemistry Reference | Isobutyl acetate(110-19-0) |
| EPA Substance Registry System | Acetic acid, 2-methylpropyl ester(110-19-0) |
| Safety Information |
| Hazard Codes | F |
| Risk Statements | 11-66 |
| Safety Statements | 16-23-25-29-33 |
| RIDADR | UN 1213 3/PG 2 |
| WGK Germany | 1 |
| RTECS | AI4025000 |
| HazardClass | 3 |
| PackingGroup | II |
| Hazardous Substances Data | 110-19-0(Hazardous Substances Data) |
| MSDS Information |
| Provider | Language |
|---|---|
| SigmaAldrich | English |
| ACROS | English |
| ALFA | English |
| Isobutyl acetate Usage And Synthesis |
| Product description |
Isobutyl acetate, also known as n-propyl acetate, is the esterfication product between acetic acid and 2-butanol. It is a water-white liquid with flavor of soft fruit ester. It is slightly soluble in water, miscible with ethanol, ethyl ether as well as many other kinds of organic solvent including alcohol, ether and hydrocarbon. It can be mainly used as the diluent of nitro-lacquer and perchlorethylene paint and the solvents of nitrocellulose and lacquer as well as the substitution solvent of butyl acetate and methyl isobutyl ketone. It can also be used as a component of the flavoring agent. It can also be used as the diluent of plastic printing paste and the extraction agent in the pharmaceutical industry. Sec-butyl acetate has excellent capability of dissolving many substances. It can be industrially applied as the solvent for manufacturing of nitrocellulose paint, acrylic paint, polyurethane paint, etc., these paints can also be used as an aircraft wing paint, artificial leather coatings and automotive coatings. Its dissolving capability is similar as n-butyl acetate and isobutyl acetate. In the coating formulation, it can be widely adopted for substitution of n-butyl acetate and isobutyl acetate. In metallic paints, people can apply butyl acetate to dissolve the cellulose acetate butyrate to obtain 15% to 20% solution. The above information is edited by the chemicalbook of Dai Xiongfeng. |
| Content Analysis |
It can be determined according to the method 1 in ester assay (OT-18). The amount of the sample for taking is 1g. The equivalency factor (e) for the calculation can be taken as 58.08. Alternatively, people can apply non-polar column method via gas chromatography (GT-10-4) for the determination. The above information is edited by the chemicalbook of Dai Xiongfeng. |
| Toxicity |
LD50: 13400 mg / kg (rat, oral). GRAS (FEMA). |
| Limited use |
FEMA (mg / kg): soft drinks: 11; cold drink: 16; Confectionery: 36; Bakery: 35; pudding class: 170; gum: 860; coating: 5.5. Take appropriate amount as limit (FDA§172.515,2000). |
| The maximum allowable amount as food additives and maximum allowable residue limits |
|
| Chemical Properties | It is a water-white liquid with soft fruit ester flavor. It is miscible with a variety of organic solvents such as alcohols, ethers and hydrocarbons. |
| Application | It can be used as organic solvent, the solvent of nitrocellulose and lacquer, extraction agent, dehydrating agents. It can also be applied to collodion, nitrocellulose, varnishes, leather, pharmaceuticals, plastics and perfume industry. |
| Production method | It can be obtained via the esterfication between iso-butanol and acetic anhydride in the presence of sulfuric acid. Mix the acetic anhydride and iso-butanol solution followed by adding drop wise of sulfuric acid. Heat for reflux of 5-6 h after a bit cooling, wash the refluxed liquid with water for 2-3 times. Use sodium carbonate for neutralizing with sodium carbonate, wash with water until neutralized, dry over calcium chloride with vacuum distillation in oil bath to derive the finished products. |
| Category | Flammable liquid |
| Toxicity grading | Low toxicity |
| Acute toxicity | Oral- rat LD50: 13400 mg / kg |
| Data irritation | Skin- rabbit 500 mg / 24 hours of moderate; Eyes - rabbit 500 mg / 24 hours of moderate. |
| Hazardous characteristics of explosive | It is explosive when being mixed with air. |
| Flammability and hazard characteristics | It is flammable in case of fire, high temperature and oxidant flammable with burning releasing irritated smoke. |
| Chemical Properties | CLEAR LIQUID |
| Storage characteristics | Treasury: ventilation, low-temperature and dry; store it separately from oxidants. |
| Extinguishing agent | Dry powder dry sand, carbon dioxide, foam, 1211 fire extinguishing agent. |
| Professional standards | TWA 7000 mg / m³; STEL 875 mg / m. |
| General Description | A clear colorless liquid with a fruity odor. Flash point 64°F. Less dense than water (6.2 lb / gal) and insoluble in water. Vapors are heavier than air . |
| Air & Water Reactions | Highly flammable. Insoluble in water. |
| Reactivity Profile | Isobutyl acetate reacts exothermically with acids to give alcohols and other acids. May react sufficiently exothermically with strong oxidizing acids to ignite the reaction products. Reactions with bases also generate heat. Combination with strong reducing agents (alkali metals and hydrides) generates flammable hydrogen. |
| Health Hazard | Vapors may irritate upper respiratory tract and cause nausea, vomiting, dizziness and loss of consciousness. Liquid irritates eyes and may irritate skin. |
| Fire Hazard | HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. |
| Isobutyl acetate Preparation Products And Raw materials |
| Raw materials | 2-Methyl-1-propanol |
| Preparation Products | Isobutyl acetoacetate-->Nitrocellulose lacquer thinner |
| Isobutyl acetate Basic information |
| Product Name: | Isobutyl acetate |
| Synonyms: | 2-Methylpropyl ethanoate;2-Methylpropylethanoate;Acetate d'isobutyle;acetated’isobutyle;acetated’isobutyle(french);Acetic acid, 2-methylpropyl ester;Aceticacid,2-methylpropylester;aceticacid2-methylpropylester |
| CAS: | 110-19-0 |
| MF: | C6H12O2 |
| MW: | 116.16 |
| EINECS: | 203-745-1 |
| Product Categories: | ester Flavor;Alpha Sort;Alphabetic;Chemical Class;E-LAnalytical Standards;EstersAnalytical Standards;I;Volatiles/ Semivolatiles;Alphabetical Listings;Certified Natural ProductsFlavors and Fragrances;Flavors and Fragrances;I-L;Pharmaceutical intermediates |
| Mol File: | 110-19-0.mol |
|
|
|
| Isobutyl acetate Chemical Properties |
| mp | -99 °C |
| bp | 116 °C |
| density | 0.873 |
| vapor density | >4 (vs air) |
| vapor pressure | 15 mm Hg ( 20 °C) |
| refractive index |
n |
| FEMA | 2175 |
| Fp | 71 °F |
| storage temp. | Flammables area |
| Water Solubility | 7 g/L (20 ºC) |
| Merck | 14,5130 |
| BRN | 1741909 |
| CAS DataBase Reference | 110-19-0(CAS DataBase Reference) |
| NIST Chemistry Reference | Isobutyl acetate(110-19-0) |
| EPA Substance Registry System | Acetic acid, 2-methylpropyl ester(110-19-0) |
| Safety Information |
| Hazard Codes | F |
| Risk Statements | 11-66 |
| Safety Statements | 16-23-25-29-33 |
| RIDADR | UN 1213 3/PG 2 |
| WGK Germany | 1 |
| RTECS | AI4025000 |
| HazardClass | 3 |
| PackingGroup | II |
| Hazardous Substances Data | 110-19-0(Hazardous Substances Data) |
| MSDS Information |
| Provider | Language |
|---|---|
| SigmaAldrich | English |
| ACROS | English |
| ALFA | English |
| Isobutyl acetate Usage And Synthesis |
| Product description |
Isobutyl acetate, also known as n-propyl acetate, is the esterfication product between acetic acid and 2-butanol. It is a water-white liquid with flavor of soft fruit ester. It is slightly soluble in water, miscible with ethanol, ethyl ether as well as many other kinds of organic solvent including alcohol, ether and hydrocarbon. It can be mainly used as the diluent of nitro-lacquer and perchlorethylene paint and the solvents of nitrocellulose and lacquer as well as the substitution solvent of butyl acetate and methyl isobutyl ketone. It can also be used as a component of the flavoring agent. It can also be used as the diluent of plastic printing paste and the extraction agent in the pharmaceutical industry. Sec-butyl acetate has excellent capability of dissolving many substances. It can be industrially applied as the solvent for manufacturing of nitrocellulose paint, acrylic paint, polyurethane paint, etc., these paints can also be used as an aircraft wing paint, artificial leather coatings and automotive coatings. Its dissolving capability is similar as n-butyl acetate and isobutyl acetate. In the coating formulation, it can be widely adopted for substitution of n-butyl acetate and isobutyl acetate. In metallic paints, people can apply butyl acetate to dissolve the cellulose acetate butyrate to obtain 15% to 20% solution. The above information is edited by the chemicalbook of Dai Xiongfeng. |
| Content Analysis |
It can be determined according to the method 1 in ester assay (OT-18). The amount of the sample for taking is 1g. The equivalency factor (e) for the calculation can be taken as 58.08. Alternatively, people can apply non-polar column method via gas chromatography (GT-10-4) for the determination. The above information is edited by the chemicalbook of Dai Xiongfeng. |
| Toxicity |
LD50: 13400 mg / kg (rat, oral). GRAS (FEMA). |
| Limited use |
FEMA (mg / kg): soft drinks: 11; cold drink: 16; Confectionery: 36; Bakery: 35; pudding class: 170; gum: 860; coating: 5.5. Take appropriate amount as limit (FDA§172.515,2000). |
| The maximum allowable amount as food additives and maximum allowable residue limits |
|
| Chemical Properties | It is a water-white liquid with soft fruit ester flavor. It is miscible with a variety of organic solvents such as alcohols, ethers and hydrocarbons. |
| Application | It can be used as organic solvent, the solvent of nitrocellulose and lacquer, extraction agent, dehydrating agents. It can also be applied to collodion, nitrocellulose, varnishes, leather, pharmaceuticals, plastics and perfume industry. |
| Production method | It can be obtained via the esterfication between iso-butanol and acetic anhydride in the presence of sulfuric acid. Mix the acetic anhydride and iso-butanol solution followed by adding drop wise of sulfuric acid. Heat for reflux of 5-6 h after a bit cooling, wash the refluxed liquid with water for 2-3 times. Use sodium carbonate for neutralizing with sodium carbonate, wash with water until neutralized, dry over calcium chloride with vacuum distillation in oil bath to derive the finished products. |
| Category | Flammable liquid |
| Toxicity grading | Low toxicity |
| Acute toxicity | Oral- rat LD50: 13400 mg / kg |
| Data irritation | Skin- rabbit 500 mg / 24 hours of moderate; Eyes - rabbit 500 mg / 24 hours of moderate. |
| Hazardous characteristics of explosive | It is explosive when being mixed with air. |
| Flammability and hazard characteristics | It is flammable in case of fire, high temperature and oxidant flammable with burning releasing irritated smoke. |
| Chemical Properties | CLEAR LIQUID |
| Storage characteristics | Treasury: ventilation, low-temperature and dry; store it separately from oxidants. |
| Extinguishing agent | Dry powder dry sand, carbon dioxide, foam, 1211 fire extinguishing agent. |
| Professional standards | TWA 7000 mg / m³; STEL 875 mg / m. |
| General Description | A clear colorless liquid with a fruity odor. Flash point 64°F. Less dense than water (6.2 lb / gal) and insoluble in water. Vapors are heavier than air . |
| Air & Water Reactions | Highly flammable. Insoluble in water. |
| Reactivity Profile | Isobutyl acetate reacts exothermically with acids to give alcohols and other acids. May react sufficiently exothermically with strong oxidizing acids to ignite the reaction products. Reactions with bases also generate heat. Combination with strong reducing agents (alkali metals and hydrides) generates flammable hydrogen. |
| Health Hazard | Vapors may irritate upper respiratory tract and cause nausea, vomiting, dizziness and loss of consciousness. Liquid irritates eyes and may irritate skin. |
| Fire Hazard | HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water. |
| Isobutyl acetate Preparation Products And Raw materials |
| Raw materials | 2-Methyl-1-propanol |
| Preparation Products | Isobutyl acetoacetate-->Nitrocellulose lacquer thinner |