3-HEPTANONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C7H14O
Molecular Weight	114.1855
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

Structure Search

SMILES

CCCCC(=O)CC

InChI

InChIKey=NGAZZOYFWWSOGK-UHFFFAOYSA-N

InChI=1S/C7H14O/c1-3-5-6-7(8)4-2/h3-6H2,1-2H3

HIDE SMILES / InChI

Molecular Formula	C7H14O
Molecular Weight	114.1855
Charge	0
Count

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Title	Date	PubMed
Urine 4-heptanone: a beta-oxidation product of 2-ethylhexanoic acid from plasticisers.	2001 Apr	11282094
Microbial volatile organic compounds in the air of moldy and mold-free indoor environments.	2008 Apr	18333991
Jasmonic acid-induced volatiles of Brassica oleracea attract parasitoids: effects of time and dose, and comparison with induction by herbivores.	2009	19451186
3-Heptanone as a potential new marker for valproic acid therapy.	2009 Mar	21383452

Patents

Substance Class	Chemical Created by `admin` on `Fri Dec 15 16:55:42 GMT 2023` Edited by `admin` on `Fri Dec 15 16:55:42 GMT 2023`
Record UNII	10GA6SR3AT
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

3-HEPTANONE

Systematic Name

English

3-HEPTANONE [FCC]

Common Name

English

FEMA NO. 2545

Code

English

3-HEPTANONE [FHFI]

Common Name

English

ETHYL-N-BUTYL KETONE

Common Name

English

HEPTAN-3-ONE

Systematic Name

English

ETHYL BUTYL KETONE

Systematic Name

English

NSC-8448

Code

English

3-HEPTANONE [HSDB]

Common Name

English

ETHYL BUTYL KETONE 3-HEPTANONE

Systematic Name

English

Classification Tree Code System Code

JECFA EVALUATION

3-HEPTANONE