Articles:
1H-benzocycloheptene, 2,4a,5,6,7,9a-hexahydro-3,5,5,9-tetramethyl-, (4aS-cis)-
Notes:
Constit. of the essential oil of anise (aniseed)
| CAS Number: | 53111-25-4 |  3D/inchi
|
| FDA UNII: | 2M8UNY276Q | |
| Nikkaji Web: | J9.714D | |
| Beilstein Number: | 2437579 | |
| XlogP3-AA: | 4.20 (est) | |
| Molecular Weight: | 204.35628000 | |
| Formula: | C15 H24 | |
| 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 |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 267.00 to 268.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.013000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 220.00 °F. TCC ( 104.44 °C. ) |
| logP (o/w): | 6.478 (est) |
| Soluble in: | |
| alcohol | |
| water, 0.05849 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 gamma-himachalene usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for gamma-himachalene flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 6428535 |
| National Institute of Allergy and Infectious Diseases: | Data |
| (4aR,9aS)-2,5,9,9-tetramethyl-3,4,4a,7,8,9a-hexahydrobenzo[7]annulene | |
| Chemidplus: | 0053111254 |
References:
| (4aR,9aS)-2,5,9,9-tetramethyl-3,4,4a,7,8,9a-hexahydrobenzo[7]annulene | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 6428535 |
| Pubchem (sid): | 135251301 |
| 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 |
| CHEBI: | View |
| HMDB (The Human Metabolome Database): | HMDB38168 |
| FooDB: | FDB017399 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| anise seed Search Trop Picture | |
| cedarwood oil lebanon @ 6.90% Data GC Search Trop Picture | |
| cedarwood oil texas @ 0.10% Data GC Search Trop Picture | |
| guava fruit oil reunion @ 0.10% Data GC Search Trop Picture | |
| lippia alnifolia schau. leaf oil brazil @ 0.30% Data GC Search Trop Picture |
Synonyms:
| 1H- | benzocycloheptene, 2,4a,5,6,7,9a-hexahydro-3,5,5,9-tetramethyl-, (4aS-cis)- |
| 1H- | benzocycloheptene, 2,4a,5,6,7,9a-hexahydro-3,5,5,9-tetramethyl-, (4aS,9aR)- |
| (4aS-cis)-,4a,5,6,7,9a- | hexahydro-3,5,5,9-tetramethyl-1H-benzocycloheptene |
| g- | himachalene |
| (4aS,9aR)-3,5,5,9- | tetramethyl-2,4a,5,6,7,9a-hexahydro-1H-benzo[7]annulene |
| (4aR,9aS)-2,5,9,9- | tetramethyl-3,4,4a,7,8,9a-hexahydrobenzo[7]annulene |