| 2D: |  |
|---|---|
| 3D: | |
| CAS Number: | 17622-35-4 |
| FDA UNII: | Search |
| Category: | flavor and fragrance agents |
| IUPAC Name: | alpha-caryophyllene alcohol acetate |
| InChI : | InChI=1/C15H26O/c1-13(2)8-10-11(9-13)15(4)7-5-6-14(10,3)12(15)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12?,14-,15+ |
| Std.InChI: | InChI=1S/C15H26O/c1-13(2)8-10-11(9-13)15(4)7-5-6-14(10,3)12(15)16/h10-12,16H,5-9H2,1-4H3/t10-,11+,12?,14-,15+ |
| InChIKey : | MJYUBUQHKCAJQR-TUJTUWMJBV |
| Std.InChIKey: | MJYUBUQHKCAJQR-TUJTUWMJSA-N |
| SMILES : | C[C@]12CCC[C@](C1O)([C@@H]3[C@H]2CC(C3)(C)C)C |
| Molar Refractivity : | 66.96 ± 0.3 cm3 (est) |
| Parachor : | 552.5 ± 4.0 cm3 (est) |
| Index of Refraction : | 1.514 ± 0.02 (est) |
| Surface Tension : | 38.3 ± 3.0 dyne/cm (est) |
| Density : | 1.001 ± 0.06 g/cm3 (est) |
| Polarizability : | 26.54 ± 0.5 10-24cm3 (est) |
| 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 |
| FDA Mainterm (SATF): | 17622-35-4 ; CARYOPHYLLENE ALCOHOL ACETATE |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
| Food Chemicals Codex Listed: | No |
| Soluble in: | |
| water, 21.88 mg/L @ 25 °C (est) | |
| None found |
| None found |
| 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: | |||
| flavor and fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| 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 :101108817 |
| National Institute of Allergy and Infectious Diseases:Data |
| (1R,2R,6S,7S)-1,4,4,7-tetramethyltricyclo[5.3.1.02,6]undecan-11-ol |
| Chemidplus:0017622354 |
| (1R,2R,6S,7S)-1,4,4,7-tetramethyltricyclo[5.3.1.02,6]undecan-11-ol | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 101108817 |
| Pubchem (sid): | 135279861 |
| (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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | HMDB37224 |
| FooDB: | FDB016231 |
| Wikipedia: | View |
| None Found |
| None Found |
| not found in nature |
| decahydro-2,2,4,8-tetramethyl-4,8-methanoazulen-9-yl acetate stereoisomer | |
| 1,2,3,3aalpha,4,5,6,7,8,8aalpha- | decahydro-2,2,4beta,8beta-tetramethyl-4,8-methanoazulen-9-yl acetate |
| 1,2,3,3aalpha,4,5,6,7,8,8aalpha- | decahydro-2,2,4beta,8beta-tetramethyl-4,8-methanoazulene-9-ol |
| (1R,2R,6S,7S)-1,4,4,7- | tetramethyltricyclo[5.3.1.02,6]undecan-11-ol |
| None found yet. Try the PubMed Search. |
