Preferred name | (-)-guaiol |
Trivial Name | 2-[(3R,5S,8R)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol |
Short Description | guai-1(5)-en-11-ol |
Formula | C15 H26 O |
CAS Number | 489-86-1 |
CAS Number | 489-86-1 (SRS) |
ECHA Number | 207-702-8 |
FDA UNII | I7WP008A91 |
Nikkaji Number | J74.702E |
Beilstein Number | 2047993 |
MDL | MFCD00043336 |
xLogP3-AA | 3.10 (est) |
Bio Activity Summary | External link |
NMR Predictor | External link |
Synonyms |
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NCBI | Start search |
2-[(3R,5S,8R)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol | |
NIST Chemistry WebBook: | Search Inchi |
Canada Domestic Sub. List: | 489-86-1 |
Pubchem (cid): | 72607 |
Pubchem (sid): | 135030157 |
Flavornet: | 489-86-1 |
Pherobase: | View |
2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol | |
NIST Chemistry WebBook: | Search Inchi |
Canada Domestic Sub. List: | 489-86-1 |
Pubchem (cid): | 227829 |
Pubchem (sid): | 82678 |
(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 |
KEGG (GenomeNet): | C09676 |
HMDB (The Human Metabolome Database): | Search |
Typical G.C. | |
VCF-Online: | VCF Volatile Compounds in Food |
ChemSpider: | View |
Wikipedia: | View |
Material listed in food chemical codex | No |
Molecular weight | 222.37141418457 |
Melting Point | 91 to 93°C @ 760 mm Hg |
Boiling Point | 309 to 310°C @ 760 mm Hg |
Vapor Pressure | 5.4E-5 mmHg @ 25 °C |
Flash Point TCC Value | 113.33 °C TCC |
logP (o/w) | 4.782 est |
Shelf life | 12 months (or longer if stored properly.) |
Storage notes | Refrigerate in tightly sealed containers. |
Solubility | |
alcohol | Yes |
water, 3.61 mg/L @ 25 °C (est) | Yes |
water | No |
Odor Type: Woody | |
guaiacwood, rose tea rose, woody | |
Luebke, William tgsc, (1987) | At 100.00 %. mild guaiacwood tea rose |
(data available) |
Applications | |
Odor purposes | Amber, Balsam, Guaiacwood, Moss, Oriental, Rose tea rose, Woody |
Flavoring purposes | Guaiacwood |
Cosmetic purposes | Perfuming agents |
Preferred SDS: View | |
European information : | |
Most important hazard(s): | |
None - None found. | |
S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. | |
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: | |||
fragrance agents | |||
RIFM Fragrance Material Safety Assessment: Search | |||
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
Recommendation for (-)-guaiol usage levels up to: | |||
5.0000 % in the fragrance concentrate. | |||
Recommendation for (-)-guaiol flavor usage levels up to: | |||
not for flavor use. |
EPI System: View |
AIDS Citations:Search |
Cancer Citations:Search |
Toxicology Citations:Search |
EPA Substance Registry Services (TSCA):489-86-1 |
EPA ACToR:Toxicology Data |
EPA Substance Registry Services (SRS):Registry |
Laboratory Chemical Safety Summary :72607 |
National Institute of Allergy and Infectious Diseases:Data |
WGK Germany:3 |
2-[(3R,5S,8R)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol |
Chemidplus:0000489861 |
2-[(3S,5R,8S)-3,8-dimethyl-1,2,3,4,5,6,7,8-octahydroazulen-5-yl]propan-2-ol |