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Details

Stereochemistry RACEMIC
Molecular Formula C6H12O
Molecular Weight 100.1589
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 2-METHYLVALERALDEHYDE

SMILES

CCCC(C)C=O

InChI

InChIKey=FTZILAQGHINQQR-UHFFFAOYSA-N
InChI=1S/C6H12O/c1-3-4-6(2)5-7/h5-6H,3-4H2,1-2H3

HIDE SMILES / InChI

Molecular Formula C6H12O
Molecular Weight 100.1589
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Patents
Substance Class Chemical
Created
by admin
on Fri Dec 15 18:58:35 GMT 2023
Edited
by admin
on Fri Dec 15 18:58:35 GMT 2023
Record UNII
64L45T2504
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
2-METHYLVALERALDEHYDE
Systematic Name English
.ALPHA.-METHYLVALERALDEHYDE
Systematic Name English
PENTANAL, 2-METHYL-
Systematic Name English
2-METHYLPENTANAL
FHFI  
Systematic Name English
FEMA NO. 3413
Code English
2-METHYL VALERALDEHYDE
Systematic Name English
VALERALDEHYDE, 2-METHYL-
Systematic Name English
NSC-49351
Code English
2-METHYLPENTALDEHYDE [HSDB]
Common Name English
2-METHYLPENTANAL [FHFI]
Common Name English
2-METHYLVALERIC ALDEHYDE
Common Name English
(±)-2-METHYLPENTANAL
Systematic Name English
2-FORMYLPENTANE
Systematic Name English
.ALPHA.-METHYLPENTANAL
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 2-METHYLPENTANAL
Created by admin on Fri Dec 15 18:58:35 GMT 2023 , Edited by admin on Fri Dec 15 18:58:35 GMT 2023
Code System Code Type Description
NSC
49351
Created by admin on Fri Dec 15 18:58:35 GMT 2023 , Edited by admin on Fri Dec 15 18:58:35 GMT 2023
PRIMARY
HSDB
1129
Created by admin on Fri Dec 15 18:58:35 GMT 2023 , Edited by admin on Fri Dec 15 18:58:35 GMT 2023
PRIMARY
EPA CompTox
DTXSID9021978
Created by admin on Fri Dec 15 18:58:35 GMT 2023 , Edited by admin on Fri Dec 15 18:58:35 GMT 2023
PRIMARY
CAS
123-15-9
Created by admin on Fri Dec 15 18:58:35 GMT 2023 , Edited by admin on Fri Dec 15 18:58:35 GMT 2023
PRIMARY
JECFA MONOGRAPH
645
Created by admin on Fri Dec 15 18:58:35 GMT 2023 , Edited by admin on Fri Dec 15 18:58:35 GMT 2023
PRIMARY
FDA UNII
64L45T2504
Created by admin on Fri Dec 15 18:58:35 GMT 2023 , Edited by admin on Fri Dec 15 18:58:35 GMT 2023
PRIMARY
ECHA (EC/EINECS)
204-605-2
Created by admin on Fri Dec 15 18:58:35 GMT 2023 , Edited by admin on Fri Dec 15 18:58:35 GMT 2023
PRIMARY
PUBCHEM
31245
Created by admin on Fri Dec 15 18:58:35 GMT 2023 , Edited by admin on Fri Dec 15 18:58:35 GMT 2023
PRIMARY