The Good Scents Company - Aromatic/Hydrocarbon/Inorganic Ingredients Catalog information
| Name: | 2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-yl butanoate | |
| CAS Number: | 73003-91-5 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 277-213-2 | |
| FDA UNII: | BXX9GGI596 | |
| Nikkaji Web: | J195.365F | |
| XlogP3-AA: | 4.50 (est) | |
| Molecular Weight: | 292.46244000 | |
| Formula: | C19 H32 O2 | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) |
Category:fragrance agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.99000 @ 25.00 °C. |
| Refractive Index: | 1.49500 @ 25.00 °C. |
| Boiling Point: | 315.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.000016 mmHg @ 25.00 °C. (est) |
| Flash Point: | 219.00 °F. TCC ( 103.89 °C. ) |
| logP (o/w): | 6.793 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.009096 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water |
Organoleptic Properties:
| Odor Type: balsamic |
| rose plum animal balsamic woody |
| Odor Description:at 100.00 %. rose plum animal balsamic woody |
| Flavor Type: fruity |
| plum fruity |
| Taste Description: plum |
| Odor and/or flavor descriptions from others (if found). |
Cosmetic Information:
Suppliers:
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 |
References:
| 2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-yl butanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 175381 |
| Pubchem (sid): | 135153369 |
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 |
Potential Blenders and core components note
Potential Uses:
| FR | animal |
| FL/FR | birch tar |
| FR | castoreum |
| FR | civet |
| FR | date |
| FR | heather |
| FR | leather |
| FR | plum |
| FR | tobacco |
Occurrence (nature, food, other):note
Synonyms:
| butanoic acid 1-methyl-1-((3S,5R,8S)-1,2,3,4,5,6,7,8-octahydro-3,8-dimethyl-5-azulenyl) ethyl ester | |
| butanoic acid, 1-methyl-1-((3S,5R,8S)-1,2,3,4,5,6,7,8-octahydro-3,8-dimethyl-5-azulenyl)ethyl ester | |
| 2-((3S,5R,8S)-3,8- | dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl) propan-2-yl butanoate |
| 2-[(3S,5R,8S)-3,8- | dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-yl butanoate |
| guaiol butyrate | |
| (3S-(3alpha,5alpha,8alpha))-1- | methyl-1-(1,2,3,4,5,6,7,8-octahydro-3,8-dimethyl azulen-5-yl) ethyl butyrate |
| (3S-(3a,5a,8a))-1- | methyl-1-(1,2,3,4,5,6,7,8-octahydro-3,8-dimethylazulen-5-yl)ethyl butyrate |