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English
2-Methyl-1,3-cyclohexanedione
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
chemical compound
0 references
mass
126.06807956
dalton
1 reference
based on heuristic
inferred from InChI
chemical formula
C₇H₁₀O₂
0 references
canonical SMILES
CC1C(=O)CCCC1=O
0 references
melting point
206.0
degree Celsius
1 reference
stated in
Jean-Claude Bradley Open Melting Point Dataset
found in taxon
Nicotiana tabacum
1 reference
stated in
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
Identifiers
InChI
InChI=1S/C7H10O2/c1-5-6(8)3-2-4-7(5)9/h5H,2-4H2,1H3
0 references
InChIKey
VSGJHHIAMHUZKF-UHFFFAOYSA-N
0 references
CAS Registry Number
1193-55-1
1 reference
InChIKey
VSGJHHIAMHUZKF-UHFFFAOYSA-N
stated in
CAS Common Chemistry
retrieved
10 April 2021
reference URL
https://commonchemistry.cas.org/detail?cas_rn=1193-55-1
PubChem CID
70945
0 references
SureChEMBL ID
SCHEMBL677600
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VSGJHHIAMHUZKF-UHFFFAOYSA-N
UniChem compound ID
317403
1 reference
stated in
UniChem
MassBank accession ID
MSBNK-Fac_Eng_Univ_Tokyo-JP006347
0 references
DSSTox substance ID
DTXSID90152406
1 reference
stated in
Mapping file of InChIStrings, InChIKeys and DTXSIDs for the EPA CompTox Dashboard
DSSTOX compound identifier
DTXCID0074897
0 references
NSC number
54460
0 references
EC number
214-773-9
0 references
ECHA Substance Infocard ID
100.013.431
1 reference
stated in
ECHA Substance Infocard database
ECHA Substance Infocard ID
100.013.431
retrieved
29 December 2019
title
2-methylcyclohexane-1,3-dione
(English)
quotation
CAS no.: 1193-55-1
(English)
KNApSAcK ID
C00059388
2 references
based on heuristic
inferred from InChIKey
matched by identifier from
InChIKey
InChIKey
VSGJHHIAMHUZKF-UHFFFAOYSA-N
Probes And Drugs ID
PD020604
0 references
PDB ligand ID
70V
0 references
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