EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

4-heptanol
dipropyl carbinol

Supplier Sponsors

Name:heptan-4-ol
CAS Number: 589-55-9Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg:209-651-7
FDA UNII: YG7B8091BP
Nikkaji Web:J95.498E
MDL:MFCD00021934
CoE Number:555
XlogP3:2.20 (est)
Molecular Weight:116.20372000
Formula:C7 H16 O
BioActivity Summary:listing
NMR Predictor:Predict (works with chrome, Edge or firefox)
Category:information only not used for fragrances or flavors
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar:Search
Google Books:Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Google Patents:Search
US Patents:Search
EU Patents:Search
Pubchem Patents:Search
PubMed:Search
NCBI:Search
 
Physical Properties:
Appearance:colorless clear liquid (est)
Assay: 99.00 to 100.00
Food Chemicals Codex Listed: No
Melting Point: -41.20 °C. @ 760.00 mm Hg
Boiling Point: 156.00 to 158.00 °C. @ 760.00 mm Hg
Vapor Pressure:0.792000 mmHg @ 25.00 °C. (est)
Flash Point: 118.00 °F. TCC ( 47.78 °C. )
logP (o/w): 2.220
Soluble in:
 alcohol
 water, 4260 mg/L @ 25 °C (est)
 water, 4700 mg/L @ 25 °C (exp)
 
Organoleptic Properties:
Odor Description:at 100.00 %. alcoholic
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
Penta International
4-HEPTANOL
TCI AMERICA
For experimental / research use only.
4-Heptanol >97.0%(GC)
sds
 
Safety Information:
Preferred SDS: View
 
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
 
Safety in Use Information:
Category:
information only not used for fragrances or flavors
Recommendation for 4-heptanol usage levels up to:
 not for fragrance use.
 
Recommendation for 4-heptanol flavor usage levels up to:
 not for flavor use.
 
Safety References:
EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):589-55-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :11513
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 1987
heptan-4-ol
Chemidplus:0000589559
 
References:
 heptan-4-ol
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:589-55-9
Pubchem (cid):11513
Pubchem (sid):134976546
Pherobase:View
 
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
Export Tariff Code:2903.39.2050
ChemSpider:View
 
Potential Blenders and core components note
None Found
 
Potential Uses:
None Found
 
Occurrence (nature, food, other):note
 not found in nature
 
Synonyms:
 dipropyl carbinol
 dipropylcarbinol
 heptan-4-ol
4-hydroxyheptane
 

Articles:

PubMed:Preparation of polypyrrole composite solid-phase microextraction fiber coatings by sol-gel technique for the trace analysis of polar biological volatile organic compounds.
PubMed:Effect of the addition of alkanols of different topology to dipalmitoyl-phosphatidylcholine vesicles in the presence of gramicidin.
PubMed:Intensely luminescent homoleptic alkynyl decanuclear gold(I) clusters and their cationic octanuclear phosphine derivatives.
PubMed:New cysteine-S-conjugate precursors of volatile sulfur compounds in bell peppers (Capsicum annuum L. cultivar).
PubMed:Fragrance material review on 2,6-dimethyl-4-heptanol.
PubMed:Separation, synthesis and estrogenic activity of 4-nonylphenols: two sets of new diastereomeric isomers in a commercial mixture.
PubMed:Exocrine chemistry of the myrmicine ant Zacryptocerus pusillus (Hymenoptera: Formicidae).
PubMed:Preparation of single-enantiomer 2-methyl-4-heptanol, a pheromone of Metamasius hemipterus, using (S)-2-methoxy-2-(1-naphthyl)propionic acid.
PubMed:Creating space for large secondary alcohols by rational redesign of Candida antarctica lipase B.
PubMed:Evidence for a male-produced aggregation pheromone in Scyphophorus acupunctatus Gyllenhal (Coleoptera: Curculionidae).
PubMed:Pheromone-based trapping of West Indian sugarcane weevil in a sugarcane plantation.
PubMed:Solvent effect on ion-pair extraction of 2-(2-pyridylazo)-1-naphthol-4-sulfonate anion with solvated hydroxonium ion using alcohols and 1-octanol/octane mixed solvents.
PubMed:Optimization of semiochemical-based trapping ofMetamasius hemipterus sericeus (Olivier) (Coleoptera: Curculionidae).
PubMed:Chemical identification, electrophysiological and behavioral activities of the pheromone of Metamasius hemipterus (Coleoptera: Curculionidae).
PubMed:In vitro quantitative structure-activity relationship assessment of pyrrole adducts production by gamma-diketone-forming neurotoxic solvents.
PubMed:4-Spiro[2.n]alkyl cations and their rearrangements.
PubMed:Identification of the n-heptane metabolites in rat and human urine.
PubMed:Alphatic 3,4-epoxyalcohols. Metabolism by epoxide hydrase and mutagenic activity.
PubMed:Purification and characterization of a secondary alcohol dehydrogenase from a pseudomonad.
PubMed:The specificities and configurations of ternary complexes of yeast and liver alcohol dehydrogenases.
 
Notes:
None found
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