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 |
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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 |
(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 |
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 |
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 |
Applications | |
Odor purposes | Animal, Birch tar, Castoreum, Civet, Date, Heather, Leather, Plum, Tobacco |
Flavoring purposes | Birch tar |
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 |
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. |
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 |