Preferred name | spathulenol |
Trivial Name | Spathulenol |
Short Description | 1H-cycloprop[e]azulen-7-ol, decahydro-1,1,7-trimethyl-4-methylene-, (1aR,4aR,7S,7aR,7bR)- |
Formula | C15 H24 O |
CAS Number | 6750-60-3 |
FDA UNII | 7XV9L96SJJ |
Nikkaji Number | J16.275B |
xLogP3-AA | 3.10 (est) |
NMR Predictor | External link |
Synonyms |
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NCBI | Start search |
(1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol | |
NIST Chemistry WebBook: | Search Inchi |
Pubchem (cid): | 92231 |
Pubchem (sid): | 135047799 |
Flavornet: | 6750-60-3 |
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 |
CHEBI: | View |
CHEMBL: | View |
HMDB (The Human Metabolome Database): | HMDB36420 |
FooDB: | FDB015304 |
Typical G.C. | |
VCF-Online: | VCF Volatile Compounds in Food |
ChemSpider: | View |
Wikipedia: | View |
BOC Sciences |
Material listed in food chemical codex | No |
Molecular weight | 220.35548400879 |
Boiling Point | 296 to 298°C @ 760 mm Hg |
Vapor Pressure | 0.000141 mmHg @ 25 °C |
Flash Point TCC Value | 123.89 °C TCC |
logP (o/w) | 4.406 est |
Solubility | |
alcohol | Yes |
water, 12.44 mg/L @ 25 °C (est) | Yes |
water | No |
Odor Type: Earthy | |
earthy, herbal, fruity | |
General comment | At 100.00 %. earthy herbal fruity |
(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 spathulenol usage levels up to: | |||
not for fragrance use. | |||
Recommendation for spathulenol flavor usage levels up to: | |||
not for flavor use. |
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 :92231 |
National Institute of Allergy and Infectious Diseases:Data |
(1aR,4aR,7S,7aR,7bR)-1,1,7-trimethyl-4-methylidene-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-ol |
Chemidplus:0006750603 |