2,6,6-trimethylcyclohex-2-ene-1,4-dione (Q1490748)

inferred from SMILES

chemical formula

C₉H₁₂O₂

1 reference

PubChem

canonical SMILES

CC1=CC(=O)CC(C1=O)(C)C

1 reference

PubChem

melting point

20.0 degree Celsius

1 reference

Jean-Claude Bradley Open Melting Point Dataset

found in taxon

Buddleja davidii

1 reference

Volatile compounds from androconial organs of danaine and ithomiine butterflies

Prittwitzia hymenaea

1 reference

Volatile compounds from androconial organs of danaine and ithomiine butterflies

Euploea sylvester

1 reference

Volatile compounds from androconial organs of danaine and ithomiine butterflies

Amauris echeria

1 reference

Volatile compounds from androconial organs of danaine and ithomiine butterflies

Nicotiana bonariensis

1 reference

Phylogenetic fragrance patterns in Nicotiana sections Alatae and Suaveolentes

Artemisia judaica

1 reference

The Essential Oil of Artemisia judaica L. from the Sinai and Negev Deserts. Aromatic Plants of the Holy Land and the Sinai, Part II

Mangifera indica

2 references

Volatile components from mango (Mangifera indica L.) cultivars

Glycosidically-bound aroma volatile compounds in the skin and pulp of ‘Kensington Pride’ mango fruit at different stages of maturity

Carica papaya

1 reference

Volatile components of papaya (Carica papaya L., Maradol variety) fruit

Ceratophyllum demersum

1 reference

Chemical composition of essential oils of two submerged macrophytes,Ceratophyllum demersum L. andVallisneria spiralis L.

Nicotiana tabacum

1 reference

Comparison of different extraction methods: steam distillation, simultaneous distillation and extraction and headspace co-distillation, used for the analysis of the volatile components in aged flue-cured tobacco leaves

Camellia sinensis

1 reference

Metabolite profiling of Camellia sinensis by automated sequential, multidimensional gas chromatography/mass spectrometry reveals strong monsoon effects on tea constituents

Arctostaphylos uva-ursi

1 reference

Comparative study of the leaf volatiles of Arctostaphylos uva-ursi (L.) Spreng. and Vaccinium vitis-idaea L. (Ericaceae).

Eucalyptus leucoxylon

1 reference

Composition of Australian Honey Extractives. 1. Norisoprenoids, Monoterpenes, and Other Natural Volatiles from Blue Gum (Eucalyptus leucoxylon) and Yellow Box (Eucalyptus melliodora) Honeys

Eucalyptus melliodora

1 reference

Composition of Australian Honey Extractives. 1. Norisoprenoids, Monoterpenes, and Other Natural Volatiles from Blue Gum (Eucalyptus leucoxylon) and Yellow Box (Eucalyptus melliodora) Honeys

Identifiers

InChI

InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3

1 reference

PubChem

imported from Wikimedia project

1 reference

2 references

Hungarian Wikipedia

https://commonchemistry.cas.org/detail?cas_rn=1125-21-9

8 April 2021

ChemSpider ID

56162

1 reference

imported from Wikimedia project

Hungarian Wikipedia

PubChem CID

62374

2 references

imported from Wikimedia project

Hungarian Wikipedia

ChEBI ID

179251

mapping relation type

exact match

2 references

ChEBI release 2022-06-13

International Chemical Identifier

InChI

InChI=1S/C9H12O2/c1-6-4-7(10)5-9(2,3)8(6)11/h4H,5H2,1-3H3

SureChEMBL ID

SCHEMBL444616

2 references

inferred from InChIKey

1 reference

NMRShiftDB structure ID

20026713

1 reference

DSSTox substance ID

DTXSID9021685

2 references

Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard

DSSTOX compound identifier

0 references

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.013.097

retrieved

27 December 2018

title

2,6,6-trimethylcyclohex-2-ene-1,4-dione (English)

ECHA Substance Infocard ID

CAS no.: 1125-21-9 (English)

100.013.097

1 reference

ECHA Substance Infocard database

ECHA Substance Infocard ID

100.013.097

retrieved

27 December 2018

title

2,6,6-trimethylcyclohex-2-ene-1,4-dione (English)

CAS no.: 1125-21-9 (English)

FL number

07.109

1 reference

CAS no.: 1125-21-9 (English)

23 January 2021

07.109

1 reference

28 December 2019

TRIMETHYL-2-CYCLOHEXENE-1,4-DIONE (English)

Human Metabolome Database ID

CAS no.: 1125-21-9 (English)

HMDB0040216

2 references

inferred from InChIKey

KNApSAcK ID

C00035002

2 references

inferred from InChIKey

UNII

72WY3KLB5R

1 reference

Google Knowledge Graph ID

Probes And Drugs ID

PD056178

0 references

/g/1218fhw8

0 references

JECFA number

1857

1 reference