heptanol
gentanol
 
Notes:
Found in a few essential oils, e.g. Rosa rugosa. Also present in roasted peanut, roasted filbert, plum brandy, rice bran, cooked rice, peated malt, Bourbon vanilla, banana, morello cherry, orange, guava fruit, pineapple and plum. Flavouring ingredient 1-Heptanol is an alcohol with a seven carbon chain and the structural formula of CH3(CH2)6OH. It is a clear colorless liquid that is very slightly soluble in water, but miscible with ether and ethanol.
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heptan-1-ol (Click)
CAS Number: 53535-33-4Picture of molecule
ECHA EINECS - REACH Pre-Reg: 258-615-7
FDA UNII: 8JQ5607IO5
Nikkaji Web: J2.457K
Beilstein Number: 1731686
XlogP3: 2.70 (est)
Molecular Weight: 116.20372000
Formula: C7 H16 O
BioActivity Summary: listing
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and 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: 176.00 to  177.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.325000 mm/Hg @ 25.00 °C. (est)
Flash Point: 165.00 °F. TCC ( 73.90 °C. ) (est)
logP (o/w): 2.367 (est)
Soluble in:
 alcohol
 water, 1800 mg/L @ 25 °C (exp)
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Organoleptic Properties:
  
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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: flavor and fragrance agents
 
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Safety References:
EPI System: View
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 53535-33-4
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 8129
National Institute of Allergy and Infectious Diseases: Data
 heptan-1-ol
Chemidplus: 0053535334
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References:
 heptan-1-ol
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 8129
Pubchem (sid): 135003798
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
CHEMBL: View
HMDB (The Human Metabolome Database): HMDB31479
FooDB: FDB008053
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Wikipedia: View
RSC Learn Chemistry: View
Formulations/Preparations:
•c7 alcohol isomeric mixtures •c7-c9-c11 alcohol isomeric mixtures •c7-c8-c9 alcohol isomeric mixtures
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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
 found in nature
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Synonyms:
 alcohol, heptyl
 gentanol
 heptan-1-ol
N-heptan-1-ol
1-heptanol
N-heptanol
1-hydroxyheptane
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