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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 3-METHYLHEXANAL

SMILES

CCCC(C)CC=O

InChI

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

HIDE SMILES / InChI

Approval Year

Name Type Language
3-METHYLHEXANAL
FHFI  
Systematic Name English
3-METHYLHEXANAL [FHFI]
Common Name English
FEMA NO. 4261
Code English
(±)-3-METHYLHEXANAL
Systematic Name English
HEXANAL, 3-METHYL-
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 3-METHYLHEXANAL
Created by admin on Fri Dec 15 22:08:33 UTC 2023 , Edited by admin on Fri Dec 15 22:08:33 UTC 2023
Code System Code Type Description
EPA CompTox
DTXSID30864879
Created by admin on Fri Dec 15 22:08:33 UTC 2023 , Edited by admin on Fri Dec 15 22:08:33 UTC 2023
PRIMARY
JECFA MONOGRAPH
2147
Created by admin on Fri Dec 15 22:08:33 UTC 2023 , Edited by admin on Fri Dec 15 22:08:33 UTC 2023
PRIMARY
CAS
19269-28-4
Created by admin on Fri Dec 15 22:08:33 UTC 2023 , Edited by admin on Fri Dec 15 22:08:33 UTC 2023
PRIMARY
PUBCHEM
140511
Created by admin on Fri Dec 15 22:08:33 UTC 2023 , Edited by admin on Fri Dec 15 22:08:33 UTC 2023
PRIMARY
FDA UNII
XUF7U8UTGI
Created by admin on Fri Dec 15 22:08:33 UTC 2023 , Edited by admin on Fri Dec 15 22:08:33 UTC 2023
PRIMARY