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amyl valerate
General Material Information
| Preferred name | amyl valerate |
| Trivial Name | Pentyl pentanoate |
| Short Description | pentanoic acid, pentyl ester |
| Formula | C10 H20 O2 |
| CAS Number | 2173-56-0 |
| Flavis Number | 9.149 |
| ECHA Number | 218-528-7 |
| FDA UNII | 694D4BU139 |
| Nikkaji Number | J102.391H |
| Beilstein Number | 1754427 |
| MDL | MFCD00042904 |
| COE Number | 467 |
| xLogP3-AA | 3.30 (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 |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| FooDB: | FDB000968 |
| Export Tariff Code: | 2915.90.5000 |
| 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 | 7.081 to 7.148 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | 7.131 to 7.156 |
| Refractive Index | 1.41 to 1.415 @ 20 °C |
| Refractive Index | 1.41 to 1.417 @ 25 °C |
| Boiling Point | 188 to 190°C @ 760 mm Hg |
| Vapor Pressure | 0.233 mmHg @ 25 °C |
| Flash Point TCC Value | 75 °C TCC |
| logP (o/w) | 3.81 |
| Solubility | |
| alcohol | Yes |
| water, 33.39 mg/L @ 25 °C (est) | Yes |
Organoleptic Properties
| Odor Type: Fruity | |
| ripe, fruity, apple | |
| Odor strength | medium |
| Substantivity | 4 hour(s) at 100.00 % |
| General comment | At 100.00 %. ripe fruity apple |
Occurrences
| (data available) |
Potential Uses
| Applications | |
| Odor purposes | Apple , Apple blossom , Blueberry |
| Cosmetic purposes | Perfuming agents |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| None - None found. | |
| S 02 - Keep out of the reach of children. S 23 - Do not breath vapour. S 24/25 - Avoid contact with skin and eyes. | |
| 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 > 35420 mg/kg Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. oral-guinea pig LD50 > 17260 mg/kg SKIN AND APPENDAGES (SKIN): HAIR: OTHER Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964. | |
| 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 amyl valerate usage levels up to: | |||
| 3.0000 % in the fragrance concentrate. | |||
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):2173-56-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :62433 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| pentyl pentanoate |
| Chemidplus:0002173560 |
| RTECS:SA4250000 for cas# 2173-56-0 |