Articles:
| PubMed: | Microbiological Transformation of Terpenes: II. Transformation of alpha-Pinene. |
bicyclo(3.1.1)hept-3-en-2-one, 4,6,6-trimethyl-, (1R,5R)-
Notes:
None found
| CAS Number: | 18309-32-5 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 242-195-7 | |
| FDA UNII: | 99S17893UW | |
| Nikkaji Web: | J53.851E | |
| Beilstein Number: | 2042766 | |
| XlogP3-AA: | 1.60 (est) | |
| Molecular Weight: | 150.22078000 | |
| Formula: | C10 H14 O | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: cosmetic, flavor and 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:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 8.00 to 10.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 226.00 to 228.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.077000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 185.00 °F. TCC ( 85.00 °C. ) (est) |
| logP (o/w): | 2.139 (est) |
| Soluble in: | |
| alcohol | |
| water, 943.4 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
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: | |
|
intraperitoneal-mouse LDLo 250 mg/kg "Summary Tables of Biological Tests," National Research Council Chemical-Biological Coordination Center. Vol. 7, Pg. 794, 1955. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | cosmetic, flavor and fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 18309-32-5 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 65724 |
| National Institute of Allergy and Infectious Diseases: | Data |
| (1R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one | |
| Chemidplus: | 0018309325 |
References:
| (1R,5R)-4,6,6-trimethylbicyclo[3.1.1]hept-3-en-2-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 18309-32-5 |
| Pubchem (cid): | 65724 |
| Pubchem (sid): | 135023170 |
| 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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| 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
| juniper formosan juniper Search Trop Picture | |
| juniperus oblonga Search Trop Picture | |
| magnolia southern magnolia Search Trop Picture | |
| michelia compressa Search Trop Picture | |
| st. johnswort spotted Search Trop Picture |
Synonyms:
| bicyclo(3.1.1)hept-3-en-2-one, 4,6,6-trimethyl-, (1R-cis)- | |
| bicyclo(3.1.1)hept-3-en-2-one, 4,6,6-trimethyl-, (1R,5R)- | |
| bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1R-cis)- | |
| bicyclo[3.1.1]hept-3-en-2-one, 4,6,6-trimethyl-, (1R)- | |
| (1R,5R)-(+)-2- | pinen-4-one |
| 2- | pinen-4-one, (1R,5R)-(+)- |
| trimethyl bicyclo-3-hepten-2-one | |
| (1R-cis)-4,6,6- | trimethyl bicyclo(3.1.1)hept-3-en-2-one |
| (1R)-4,6,6- | trimethyl bicyclo(3.1.1)hept-3-en-2-one |
| 4,6,6- | trimethyl-(1R)-bicyclo(3.1.1)hept-3-en-2-one |
| trimethylbicyclo-3-hepten-2-one | |
| (1R-cis)-4,6,6- | trimethylbicyclo(3.1.1)hept-3-en-2-one |
| (1R)-4,6,6- | trimethylbicyclo(3.1.1)hept-3-en-2-one |
| (1R-cis)-4,6,6- | trimethylbicyclo(3.1.1)hept-3-ene-2-one |
| (1R,5R)-4,6,6- | trimethylbicyclo[3.1.1]hept-3-en-2-one |
| (1R-cis)-4,6, 6- | trimethylbicyclo[3.1.1]hept-3-ene-2-one |
| (R)-(+)- | verbenone |
| D- | verbenone |
| dextro- | verbenone |
| verbenone, (D) |