3-HEXANOL

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

Structure Search

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

Molecular Formula	C6H14O
Molecular Weight	102.1748
Charge	0
Count

Stereochemistry	RACEMIC
Additional Stereochemistry	No
Defined Stereocenters	0 / 1
E/Z Centers	0
Optical Activity	( + / - )

Approval Year

PubMed

PubMed

Title	Date	PubMed
Substrate entropy in enzyme enantioselectivity: an experimental and molecular modeling study of a lipase.	2002 Jun	12021445
Semantic knowledge influences prewired hedonic responses to odors.	2010 Nov 8	21079734

Patents

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 18:53:05 GMT 2023` Edited by `admin` on `Fri Dec 15 18:53:05 GMT 2023`
Record UNII	I1ZTO95J84
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-HEXANOL

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

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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

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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

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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

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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

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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

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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

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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

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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

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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

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