Preferred name | khusimone |
Trivial Name | (1R,8R)-7,7-dimethyl-6-methylenetricyclo[6.2.1.01,5]undecan-2-one |
Short Description | alpha-vetyvone |
Formula | C14 H20 O |
CAS Number | 30557-76-7 |
FDA UNII | Search |
xLogP3-AA | 2.60 (est) |
NMR Predictor | External link |
Synonyms |
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NCBI | Start search |
(1R,8R)-7,7-dimethyl-6-methylenetricyclo[6.2.1.01,5]undecan-2-one | |
NIST Chemistry WebBook: | Search Inchi |
Pubchem (cid): | 6428327 |
Pubchem (sid): | 10543891 |
Pherobase: | View |
(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 |
VCF-Online: | VCF Volatile Compounds in Food |
ChemSpider: | View |
Wikipedia: | View |
Material listed in food chemical codex | No |
Molecular weight | 204.31260681152 |
Boiling Point | 295 to 296°C @ 760 mm Hg |
Vapor Pressure | 0.001 mmHg @ 25 °C |
Flash Point TCC Value | 122.3 °C TCC |
logP (o/w) | 2.82 |
Solubility | |
alcohol | Yes |
water, 56.81 mg/L @ 25 °C (est) | Yes |
water | No |
Odor Type: Woody | |
vetiver, woody | |
General comment | At 100.00 %. vetiver woody |
(data available) |
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: | |||
natural substances and extractives | |||
Recommendation for khusimone usage levels up to: | |||
not for fragrance use. | |||
Recommendation for khusimone flavor usage levels up to: | |||
not for flavor use. |
EPI System: View |
AIDS Citations:Search |
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EPA ACToR:Toxicology Data |
EPA Substance Registry Services (SRS):Registry |
Laboratory Chemical Safety Summary :6428327 |
National Institute of Allergy and Infectious Diseases:Data |
(1R,8R)-7,7-dimethyl-6-methylenetricyclo[6.2.1.01,5]undecan-2-one |