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2-ethyl hexyl acetate
General Material Information
| Preferred name | 2-ethyl hexyl acetate |
| Trivial Name | 2-Ethylhexyl acetate |
| Short Description | acetic acid, 2-ethylhexyl ester |
| Formula | C10 H20 O2 |
| CAS Number | 103-09-3 |
| Deleted CAS Number | 12261-98-2 |
| Flavis Number | 9.381 |
| ECHA Number | 203-079-1 |
| FDA UNII | 2C7K8OA8SB |
| Nikkaji Number | J46.181D |
| Beilstein Number | 1758321 |
| MDL | MFCD00027249 |
| xLogP3-AA | 3.20 (est) |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| 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
| 2-ethylhexyl acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 103-09-3 |
| Pubchem (cid): | 7635 |
| Pubchem (sid): | 134971906 |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2915.39.9000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Formulations/Preparations: grade: technical (about 95%). | |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 172.26780700684 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.239 to 7.289 |
| Refractive Index | 1.417 to 1.423 @ 20 °C |
| Boiling Point | 196 to 199°C @ 760 mm Hg |
| Vapor Pressure | 0.413 mmHg @ 25 °C |
| Flash Point TCC Value | 71.11 °C TCC |
| logP (o/w) | 3.686 est |
| Solubility | |
| alcohol | Yes |
| water, 38.59 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Earthy | |
| earthy, herbal, humus, dirty | |
| General comment | At 10.00 % in dipropylene glycol. earthy herbal humus undergrowth |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Cypress oil replacer, Earth, Fennel, Fern, Fir needle oil replacer, Fungus, Galbanum, Oriental, Patchouli, Pine scotch pine, Root, Rose geranium, Vetiver, Woody |
| Flavoring purposes | Pea green pea, Pine scotch pine |
| Other purposes | Solvents, Truffle |
| Cosmetic purposes | Perfuming agents, Solvents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/37/38 - Irritating to eyes, respiratory system, and skin. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection. | |
| 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 3000 mg/kg (Smyth & Carpenter, 1944) oral-mouse LD50 > 3200 mg/kg Kodak Company Reports. Vol. 21May1971 oral-rat LD50 3000 mg/kg Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944. | |
| Dermal Toxicity: | |
| skin-guinea pig LD50 > 20 ml/kg Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 269, 1944. skin-rabbit LD50 > 20 ml/kg Union Carbide Data Sheet. Vol. 4/21/1967 | |
| Inhalation Toxicity: | |
| inhalation-rat LC50 > 1100 ppm/6H Kodak Company Reports. Vol. 21MAY1971 | |
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 2-ethyl hexyl acetate usage levels up to: | |||
| 4.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.12 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 3900 (μg/person/day) | ||
| Threshold of Concern: | 540 (μg/person/day) | ||
| Structure Class: | II | ||
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 7.00000 | 35.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 5.00000 | 25.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 10.00000 | 50.00000 | |
| Processed fruit (04.1): | 7.00000 | 35.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 10.00000 | 50.00000 | |
| Chewing gum (05.3): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 5.00000 | 25.00000 | |
| Bakery wares (07.0): | 10.00000 | 50.00000 | |
| Meat and meat products, including poultry and game (08.0): | 2.00000 | 10.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 2.00000 | 10.00000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 5.00000 | 25.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 10.00000 | 50.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 5.00000 | 25.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 10.00000 | 50.00000 | |
| Ready-to-eat savouries (15.0): | 20.00000 | 100.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 5.00000 | 25.00000 | |
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): |
| Flavouring Group Evaluation 04 - 2-Ethylhexyl derivatives from chemical group 2 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf |
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):103-09-3 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7635 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:1 |
| 2-ethylhexyl acetate |
| Chemidplus:0000103093 |
| EPA/NOAA CAMEO:hazardous materials |
| RTECS:AH5600000 for cas# 103-09-3 |