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isoamyl valerate
General Material Information
| Preferred name | isoamyl valerate |
| Trivial Name | Isoamyl valerate |
| Short Description | isopentyl valerate |
| Formula | C10 H20 O2 |
| CAS Number | 2050-09-1 |
| Flavis Number | 9.198 |
| ECHA Number | 218-081-8 |
| FDA UNII | 7HQJ459H95 |
| Nikkaji Number | J184.202A |
| MDL | MFCD00085198 |
| COE Number | 648 |
| xLogP3-AA | 3.20 (est) |
| 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
| 3-methylbutyl pentanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 2050-09-1 |
| Pubchem (cid): | 74901 |
| Pubchem (sid): | 135031539 |
| 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 |
| HMDB (The Human Metabolome Database): | HMDB40529 |
| FooDB: | FDB020296 |
| Export Tariff Code: | 2915.60.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Suppliers
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 172.26780700684 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.139 to 7.214 |
| Refractive Index | 1.41 to 1.418 @ 20 °C |
| Boiling Point | 185 to 186°C @ 760 mm Hg |
| Vapor Pressure | 0.413 mmHg @ 25 °C |
| Vapor Density | 5.9 |
| Flash Point TCC Value | 65 °C TCC |
| logP (o/w) | 3.686 est |
| Solubility | |
| alcohol | Yes |
| water, 38.59 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Fruity | |
| fruity, ripe, apple, green | |
| General comment | At 100.00 %. fruity ripe apple green |
| Flavor Type: Fruity | |
| strawberry | |
| General comment | Strawberry |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apple , Crabapple , Apricot , Banana , Blackberry , Cherry black cherry , Date , Grape , Honey , Peach blossom , Quince , Saffron |
| Flavoring purposes | Grenadine |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/39 - Wear suitable clothing 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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
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 isoamyl valerate usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :74901 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 3-methylbutyl pentanoate |
| Chemidplus:0002050091 |