3-OCTANONE

Details

Stereochemistry	ACHIRAL
Molecular Formula	C8H16O
Molecular Weight	128.212
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

CCCCCC(=O)CC

InChI

InChIKey=RHLVCLIPMVJYKS-UHFFFAOYSA-N

InChI=1S/C8H16O/c1-3-5-6-7-8(9)4-2/h3-7H2,1-2H3

HIDE SMILES / InChI

Approval Year

PubMed

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Title	Date	PubMed
Impact odorants contributing to the fungus type aroma from grape berries contaminated by powdery mildew (Uncinula necator); incidence of enzymatic activities of the yeast Saccharomyces cerevisiae.	2002 May 22	12009998
Volatile organic compounds in natural biofilm in polyethylene pipes supplied with lake water and treated water from the distribution network.	2005 Oct	16139326
Difference in the volatile composition of pine-mushrooms (Tricholoma matsutake Sing.) according to their grades.	2006 Jun 28	16787034
Indoor molds, bacteria, microbial volatile organic compounds and plasticizers in schools--associations with asthma and respiratory symptoms in pupils.	2007 Apr	17391238
Host habitat assessment by a parasitoid using fungal volatiles.	2007 Feb 6	17284315

Showing 1 to 5 of 26 entries

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Patents

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Name

Type

Language

3-OCTANONE

Systematic Name

English

NSC-60161

Preferred Name

English

3-OCTANONE [MI]

Common Name

English

OCTANONE, 3-

Systematic Name

English

3-OCTANONE [FHFI]

Common Name

English

Showing 1 to 5 of 9 entries

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Classification Tree

Code System

Code

FUNCTIONAL CLASSIFICATION

JECFA EVALUATION

3-OCTANONE

Subpart F--Flavoring Agents and Related Substances

CFR

21 CFR 172.515

Showing 1 to 2 of 2 entries

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Code System

Code

Type

Description

ECHA (EC/EINECS)

203-423-0

PRIMARY

PUBCHEM

246728

PRIMARY

HSDB

5371

PRIMARY

CHEBI

80946

PRIMARY

JECFA MONOGRAPH

396

PRIMARY

Showing 1 to 5 of 12 entries

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SUBSTANCE RECORD

79173B4107

3-OCTANONE