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butyl acetate
General Material Information
| Preferred name | butyl acetate |
| Trivial Name | Butyl acetate |
| Short Description | acetic acid, butyl ester |
| Formula | C6 H12 O2 |
| CAS Number | 123-86-4 |
| FEMA Number | 2174 |
| Flavis Number | 9.004 |
| ECHA Number | 204-658-1 |
| FDA UNII | 464P5N1905 |
| Nikkaji Number | J2.932G |
| Beilstein Number | 1741921 |
| MDL | MFCD00009445 |
| COE Number | 194 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 127 butyl acetate |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 123-86-4 ; BUTYL ACETATE |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| butyl acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 123-86-4 |
| Pubchem (cid): | 31272 |
| Pubchem (sid): | 134974747 |
| Flavornet: | 123-86-4 |
| Pherobase: | View |
Other Information
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| FDA Indirect Additives used in Food Contact Substances: | View |
| CHEBI: | View |
| CHEMBL: | View |
| KEGG (GenomeNet): | C12304 |
| HMDB (The Human Metabolome Database): | HMDB31325 |
| FooDB: | FDB003386 |
| Export Tariff Code: | 2902.90.9000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | Yes |
| Molecular weight | 116.16004180908 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.289 to 7.372 |
| Refractive Index | 1.387 to 1.397 @ 20 °C |
| Acid Value | 0.2 max KOH/g |
| Vapor Pressure | 11.5 mmHg @ 25 °C |
| Vapor Density | 4 |
| Flash Point TCC Value | 25.56 °C TCC |
| logP (o/w) | 1.78 |
| Shelf life | 24 months (or longer if stored properly.) |
| Storage notes | Store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Solubility | |
| alcohol | Yes |
| propylene glycol | Yes |
| water, 8400 mg/L @ 25 °C (exp) | Yes |
Organoleptic Properties
| Odor Type: Ethereal | |
| ethereal, solvent, fruity, banana, sharp | |
| Odor strength | high , recommend smelling in a 10.00 % solution or less |
| Substantivity | < 4 hour(s) at 100.00 % |
| Luebke, William tgsc, (1989) | At 10.00 % in dipropylene glycol. ethereal solvent fruity banana |
| Mosciano, Gerard P&F 24, No. 2, 49, (1999) | Sharp, etherial, diffusive, fruity banana |
| Flavor Type: Ethereal | |
| sweet, ripe, banana, tutti frutti, tropical, candy, green | |
| Mosciano, Gerard P&F 24, No. 2, 49, (1999) | At 30.00 ppm. Sweet, ripe banana, tutti frutti, tropical and candy-like with green nuances |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apple, Apricot, Banana, Berry, Butter, Butterscotch, Fruit juicy fruit, Peach, Pear, Pineapple, Plum mirabelle plum, Quince, Raspberry, Strawberry, Valerian |
| Flavoring purposes | Grenadine, Valerian |
| Cosmetic purposes | Fragrance, Solvents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 10 - Flammable. R 66 - Repeated exposure may cause skin dryness or cracking. R 67 - Vapours may cause frowsiness and dizziness. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 23 - Do not breath vapour. S 25 - Avoid contact with eyes. S 25 - Avoid contact with eyes. S 29 - Do not empty into drains. S 36/37 - Wear suitable protective clothing and gloves. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 10768 mg/kg LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES LIVER: OTHER CHANGES BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 196, 1992. oral-rabbit LD50 3200 mg/kg "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of oral-mouse LD50 6000 mg/kg Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 25(11), Pg. 57, 1981. intraperitoneal-mouse LD50 1230 mg/kg Shell Chemical Company. Unpublished Report. Vol. -, Pg. 2, 1961. oral-guinea pig LD50 4700 mg/kg "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 28, 1982. | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 17600 mg/kg Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 7, 1974. | |
| Inhalation Toxicity: | |
| inhalation-rat LC50 390 ppm/4H LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA BLOOD: HEMORRHAGE BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY) Inhalation Toxicology. Vol. 9, Pg. 623, 1997. inhalation-mouse LC50 6000 mg/m3/2H Yakkyoku. Pharmacy. Vol. 32, Pg. 1241, 1981. inhalation-rat TCLo 68000 mg/m3/72M GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS BEHAVIORAL: GENERAL ANESTHETIC LUNGS, THORAX, OR RESPIRATION: EMPHYSEMA Archiv fuer Gewerbepathologie und Gewerbehygiene. Vol. 5, Pg. 1, 1933. inhalation-guinea pig TCLo 67000 mg/m3/4H BEHAVIORAL: ANTIPSYCHOTIC SENSE ORGANS AND SPECIAL SENSES: OTHER: EYE Food and Cosmetics Toxicology. Vol. 17, Pg. 515, 1979. inhalation-human TCLo 200 ppm LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE Journal of Industrial Hygiene and Toxicology. Vol. 25, Pg. 282, 1943. inhalation-mammal (species unspecified) LC50 40000 mg/m3 Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 32(10), Pg. 25, 1988. | |
Safety in use information
| Category: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for butyl acetate usage levels up to: | |||
| 4.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 1200.00 (μg/capita/day) | ||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 32.00000 | |
| beverages(nonalcoholic): | - | 11.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 220.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 16.00000 | |
| fruit ices: | - | 16.00000 | |
| gelatins / puddings: | - | 13.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 32.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety references
| European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): |
| Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to Flavouring Group Evaluation 5: Esters of 23 branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and 24 branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 View page or View pdf |
| Flavouring Group Evaluation 5, Revision 1 (FGE.05Rev1):Esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| Flavouring Group Evaluation 2, Revision 1 (FGE.02) : Branched- and straight-chain aliphatic saturated primary alcohols and related esters of primary alcohols and straight-chain carboxylic acids and one straight-chain aldehyde from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| Flavouring Group Evaluation 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5 View page or View pdf |
| Scientific Opinion on the safety and efficacy of straight-chain primary aliphatic alcohols/aldehydes/acids, acetals and esters with esters containing saturated alcohols and acetals containing saturated aldehydes (chemical group 1) when used as flavourings for all animal species View page or View pdf |
| Risk Assessment of Food Contact Materials View page or View pdf |
| EPI System: View |
| Daily Med:search |
| NIOSH International Chemical Safety Cards:search |
| NIOSH Pocket Guide:search |
| Chemical Carcinogenesis Research Information System:Search |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):123-86-4 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :31272 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 1123 |
| WGK Germany:1 |
| butyl acetate |
| Chemidplus:0000123864 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:123-86-4 |