Articles:
cis-4,6,6-trimethylbicyclo(3.1.1)hept-3-en-2-ol acetate
Notes:
None found
| CAS Number: | 29135-27-1 |  3D/inchi
|
| Nikkaji Web: | J581.986E | |
| XlogP3-AA: | 2.10 (est) | |
| Molecular Weight: | 194.27386000 | |
| Formula: | C12 H18 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: natural substances and extractives
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 |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
Physical Properties:
| Assay: | 90.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 232.00 to 233.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.060000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 185.00 °F. TCC ( 85.00 °C. ) |
| logP (o/w): | 3.377 (est) |
| Soluble in: | |
| alcohol | |
| water, 30.19 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| None found |
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: | natural substances and extractives | ||
| Recommendation for cis-verbenyl acetate usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for cis-verbenyl acetate flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 6427494 |
| National Institute of Allergy and Infectious Diseases: | Data |
| [(1S,2R,5S)-4,7,7-trimethyl-2-bicyclo[3.1.1]hept-3-enyl] acetate |
References:
| [(1S,2R,5S)-4,7,7-trimethyl-2-bicyclo[3.1.1]hept-3-enyl] acetate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 6427494 |
| Pubchem (sid): | 10540447 |
| 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): | Search |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| boldo leaf oil italy @ 0.14% Data GC Search Trop Picture | |
| boldus leaf oil chile @ 0.08% Data GC Search Trop Picture | |
| ferula cupularis flower oil @ 0.03% Data GC Search Trop Picture |
Synonyms:
| cis-4,6,6- | trimethyl bicyclo(3.1.1)hept-3-en-2-ol acetate |
| cis-4,6,6- | trimethyl bicyclo(3.1.1)hept-3-en-2-yl acetate |
| [(1S,2R,5S)-4,7,7- | trimethyl-2-bicyclo[3.1.1]hept-3-enyl] acetate |
| cis-4,6,6- | trimethylbicyclo(3.1.1)hept-3-en-2-ol acetate |
| cis- | verbenylacetate |