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guaiyl butyrate
General Material Information
| Preferred name | guaiyl butyrate |
| Trivial Name | 1-Methyl-1-[(3S,5R,8S)-1,2,3,4,5,6,7,8-octahydro-3,8-dimethyl-5-azulenyl]ethyl butanoate |
| Short Description | (3S-(3a,5a,8a))-1-methyl-1-(1,2,3,4,5,6,7,8-octahydro-3,8-dimethylazulen-5-yl)ethyl butyrate |
| Formula | C19 H32 O2 |
| CAS Number | 73003-91-5 |
| ECHA Number | 277-213-2 |
| FDA UNII | BXX9GGI596 |
| Nikkaji Number | J195.365F |
| xLogP3-AA | 4.50 (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 |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2915.60.0000 |
| ChemSpider: | View |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 292.46243286133 |
| Specific gravity | @ 25 °C |
| Pounds per Gallon | |
| Vapor Pressure | 1.6E-5 mmHg @ 25 °C |
| Flash Point TCC Value | 103.89 °C TCC |
| logP (o/w) | 6.793 est |
| Solubility | |
| alcohol | Yes |
| water, 0.009096 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Balsamic | |
| rose, plum, animal, balsamic, woody | |
| General comment | At 100.00 %. rose plum animal balsamic woody |
| Flavor Type: Fruity | |
| plum, fruity | |
| General comment | Plum |
Potential Uses
| Applications | |
| Odor purposes | Animal , Birch tar , Castoreum , Civet , Date , Heather , Leather , Plum , Tobacco |
| Flavoring purposes | Birch tar |
Safety Information
Safety information
| 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: | |||
| 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 guaiyl butyrate usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Recommendation for guaiyl butyrate flavor usage levels up to: | |||
| not for flavor use. | |||
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):73003-91-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :175381 |
| National Institute of Allergy and Infectious Diseases:Data |
| 2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-yl butanoate |
| Chemidplus:0073003915 |