(E)-patchouli ethanol
ethanol, 2-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-, (2E)-
 
Notes:
None found
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CAS Number: 58437-71-1Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 261-252-7
Nikkaji Web: J296.937H
XlogP3-AA: 2.30 (est)
Molecular Weight: 166.26366000
Formula: C11 H18 O
NMR Predictor: Predict (works with chrome or firefox)
Category: fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 242.80 °C. @ 760.00 mm Hg (est)
Flash Point: 225.00 °F. TCC ( 107.20 °C. ) (est)
logP (o/w): 3.220 (est)
Soluble in:
 water, 318.1 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
 None found
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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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: fragrance agents
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
 
Recommendation for (E)-patchouli ethanol flavor usage levels up to:
 not for flavor use.
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 58437-71-1
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5369964
National Institute of Allergy and Infectious Diseases: Data
 (2E)-2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)ethanol
Chemidplus: 0058437722
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References:
 (2E)-2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)ethanol
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 5369964
Pubchem (sid): 135051749
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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
HMDB (The Human Metabolome Database): Search
ChemSpider: View
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Potential Blenders and core components note
 
None Found
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
(E)-2-(3,3-dimethyl bicyclo(2.2.1)hept-2-ylidene) ethanol
(2E)-2-(3,3-dimethyl-2-bicyclo[2.2.1]heptanylidene)ethanol
(E)-2-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)ethanol
 ethanol, 2-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-, (2E)-
 ethanol, 2-(3,3-dimethylbicyclo(2.2.1)hept-2-ylidene)-, (E)-
trans-patchouli ethanol
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