3-methylcyclohexanone (Q22138333)

3-METHYLCYCLOHEXANONE (English)

14 October 2016

chemical formula

C₇H₁₂O

1 reference

3-METHYLCYCLOHEXANONE (English)

14 October 2016

canonical SMILES

CC1CCCC(=O)C1

1 reference

3-METHYLCYCLOHEXANONE (English)

14 October 2016

found in taxon

Pelargonium graveolens

1 reference

(5R*, 9S*)- and (5R*, 9R*)-2,2,9-Trimethyl-1,6-dioxaspiro[4.4]non-3-ene and their Dihydro Derivatives as New Constituents of Geranium Oil

Agathosma betulina

1 reference

Analysis of Buchu leaf oil

Cyclotrichium niveum

1 reference

The Essential Oil ofCyclotrichium niveum(Boiss.) Manden. et Scheng.

Gymnodinium nagasakiense

1 reference

Cell-destroying sesquiterpenoid from red tide of Gymnodinium nagasakiense

Minthostachys andina

1 reference

The Essential Oils of Hedeoma mandoniana Wedd and of Minthostachys andina (Brett) Epling.

Polygala senega

1 reference

Volatile compounds ofPolygala senega L. var.latifolia Torrey et Gray roots

Pycnanthemum floridanum

1 reference

Chemical Composition of the Essential Oil ofPycnanthemum floridanumE. Grant and Epling

Karenia mikimotoi

1 reference

Cell-destroying sesquiterpenoid from red tide of Gymnodinium nagasakiense

Clinopodium suaveolens

1 reference

Composition of the Volatile Oil from Acinos suaveolens

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Identifiers

InChI

InChI=1S/C7H12O/c1-6-3-2-4-7(8)5-6/h6H,2-5H2,1H3

1 reference

3-METHYLCYCLOHEXANONE (English)

UJBOOUHRTQVGRU-UHFFFAOYSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

3-METHYLCYCLOHEXANONE (English)

14 October 2016

2 references

3-methylcyclohexanone (English)

UJBOOUHRTQVGRU-UHFFFAOYSA-N

14 October 2016

InChIKey

9 April 2021

https://commonchemistry.cas.org/detail?cas_rn=591-24-2

1 reference

3-Methylcyclohexanone (English)

14 October 2016

1 reference

MSBNK-Fac_Eng_Univ_Tokyo-JP002582

3-METHYLCYCLOHEXANONE (English)

14 October 2016

1 reference

inferred from InChIKey

1 reference

MassBank accession ID

0 references

MSBNK-Fac_Eng_Univ_Tokyo-JP006952

0 references

SPLASH

splash10-066u-9000000000-34156a09713322b57d8e

0 references

0 references

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DSSTOX compound identifier

0 references

0 references

209-710-7

1 reference

Global Substance Registration System

3-methylcyclohexanone (English)

ECHA Substance Infocard ID

14 October 2016

100.008.829

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.008.829

27 December 2018

AICS Chemical ID (BEING DELETED)

3-methylcyclohexanone (English)

quotation

CAS no.: 591-24-2 (English)

FL number

07.180

1 reference

quotation

CAS no.: 591-24-2 (English)

23 January 2021

07.180

5070

0 references

Human Metabolome Database ID

HMDB0033667

1 reference

based on heuristic

inferred from InChIKey

1 reference

Global Substance Registration System

3-methylcyclohexanone (English)

14 October 2016

JECFA number

1103

1 reference

Evaluations of the Joint FAO/WHO Expert Committee on Food Additives (JECFA)