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Details

Stereochemistry RACEMIC
Molecular Formula C7H14O
Molecular Weight 114.1855
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYLHEXANAL

SMILES

CCCCC(C)C=O

InChI

InChIKey=BHVGMUDWABJNRC-UHFFFAOYSA-N
InChI=1S/C7H14O/c1-3-4-5-7(2)6-8/h6-7H,3-5H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C7H14O
Molecular Weight 114.1855
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 08:19:37 GMT 2023
Edited
by admin
on Sat Dec 16 08:19:37 GMT 2023
Record UNII
4OR6YH4F1O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-METHYLHEXANAL
Systematic Name English
2-FORMYLHEXANE
Systematic Name English
2-METHYLHEXANAL, (±)-
Systematic Name English
2-METHYLHEXANALDEHYDE
Systematic Name English
(±)-2-METHYLHEXANAL
Systematic Name English
.ALPHA.-METHYLCAPRONALDEHYDE
Systematic Name English
2-METHYL-1-HEXANAL
Systematic Name English
.ALPHA.-METHYLHEXANAL
Systematic Name English
2-METHYLHEXALDEHYDE
Systematic Name English
HEXANAL, 2-METHYL-
Systematic Name English
Code System Code Type Description
CAS
925-54-2
Created by admin on Sat Dec 16 08:19:37 GMT 2023 , Edited by admin on Sat Dec 16 08:19:37 GMT 2023
PRIMARY
PUBCHEM
102515
Created by admin on Sat Dec 16 08:19:37 GMT 2023 , Edited by admin on Sat Dec 16 08:19:37 GMT 2023
PRIMARY
EPA CompTox
DTXSID50862473
Created by admin on Sat Dec 16 08:19:37 GMT 2023 , Edited by admin on Sat Dec 16 08:19:37 GMT 2023
PRIMARY
FDA UNII
4OR6YH4F1O
Created by admin on Sat Dec 16 08:19:37 GMT 2023 , Edited by admin on Sat Dec 16 08:19:37 GMT 2023
PRIMARY
ECHA (EC/EINECS)
213-118-4
Created by admin on Sat Dec 16 08:19:37 GMT 2023 , Edited by admin on Sat Dec 16 08:19:37 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE