U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry RACEMIC
Molecular Formula C6H14O
Molecular Weight 102.1748
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-HEXANOL

SMILES

CCCC(O)CC

InChI

InChIKey=ZOCHHNOQQHDWHG-UHFFFAOYSA-N
InChI=1S/C6H14O/c1-3-5-6(7)4-2/h6-7H,3-5H2,1-2H3

HIDE SMILES / InChI

Approval Year

PubMed

PubMed

TitleDatePubMed
Substrate entropy in enzyme enantioselectivity: an experimental and molecular modeling study of a lipase.
2002 Jun
Impact of phase ratio, polydimethylsiloxane volume and size, and sampling temperature and time on headspace sorptive extraction recovery of some volatile compounds in the essential oil field.
2005 Apr 15
Solid-phase microextraction: investigation of the metabolism of substances that may be abused by inhalation.
2006 Aug
[Identification of volatiles from field cotton plant under different induction treatments].
2007 Apr
Purification and characterization of alcohol dehydrogenase reducing N-benzyl-3-pyrrolidinone from Geotrichum capitatum.
2007 Feb
Reliability of fibres in solid-phase microextraction for routine analysis of the headspace of aromatic and medicinal plants.
2007 Jun 8
Attacks by a piercing-sucking insect (Myzus persicae Sultzer) or a chewing insect (Leptinotarsa decemlineata Say) on potato plants (Solanum tuberosum L.) induce differential changes in volatile compound release and oxylipin synthesis.
2009
(NE,NE)-N,N-Bis(4-hex-yloxy-3-methoxy-benzyl-idene)ethane-1,2-diamine.
2010 May 19
Differential volatile signatures from skin, naevi and melanoma: a novel approach to detect a pathological process.
2010 Nov 4
Semantic knowledge influences prewired hedonic responses to odors.
2010 Nov 8
Patents
Name Type Language
3-HEXANOL
FHFI  
Systematic Name English
NSC-60708
Code English
FEMA NO. 3351
Code English
3-HEXYL ALCOHOL
Systematic Name English
DL-3-HEXANOL
Common Name English
3-HEXANOL [FHFI]
Common Name English
(±)-3-HEXANOL
Systematic Name English
ETHYL PROPYL CARBINOL
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 3-HEXANOL
Created by admin on Fri Dec 15 18:53:06 GMT 2023 , Edited by admin on Fri Dec 15 18:53:06 GMT 2023
Code System Code Type Description
JECFA MONOGRAPH
410
Created by admin on Fri Dec 15 18:53:06 GMT 2023 , Edited by admin on Fri Dec 15 18:53:06 GMT 2023
PRIMARY
CHEBI
88653
Created by admin on Fri Dec 15 18:53:06 GMT 2023 , Edited by admin on Fri Dec 15 18:53:06 GMT 2023
PRIMARY
CAS
623-37-0
Created by admin on Fri Dec 15 18:53:06 GMT 2023 , Edited by admin on Fri Dec 15 18:53:06 GMT 2023
PRIMARY
NSC
60708
Created by admin on Fri Dec 15 18:53:06 GMT 2023 , Edited by admin on Fri Dec 15 18:53:06 GMT 2023
PRIMARY
WIKIPEDIA
3-HEXANOL
Created by admin on Fri Dec 15 18:53:06 GMT 2023 , Edited by admin on Fri Dec 15 18:53:06 GMT 2023
PRIMARY
SMS_ID
100000139552
Created by admin on Fri Dec 15 18:53:06 GMT 2023 , Edited by admin on Fri Dec 15 18:53:06 GMT 2023
PRIMARY
EVMPD
SUB88260
Created by admin on Fri Dec 15 18:53:06 GMT 2023 , Edited by admin on Fri Dec 15 18:53:06 GMT 2023
PRIMARY
ECHA (EC/EINECS)
210-790-0
Created by admin on Fri Dec 15 18:53:06 GMT 2023 , Edited by admin on Fri Dec 15 18:53:06 GMT 2023
PRIMARY
FDA UNII
I1ZTO95J84
Created by admin on Fri Dec 15 18:53:06 GMT 2023 , Edited by admin on Fri Dec 15 18:53:06 GMT 2023
PRIMARY
PUBCHEM
12178
Created by admin on Fri Dec 15 18:53:06 GMT 2023 , Edited by admin on Fri Dec 15 18:53:06 GMT 2023
PRIMARY
EPA CompTox
DTXSID70862314
Created by admin on Fri Dec 15 18:53:06 GMT 2023 , Edited by admin on Fri Dec 15 18:53:06 GMT 2023
PRIMARY