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Details

Stereochemistry RACEMIC
Molecular Formula C11H14O
Molecular Weight 162.2283
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHYL-2-PHENYLBUTYRALDEHYDE

SMILES

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

InChI

InChIKey=UKEXEDXJYSMZGZ-UHFFFAOYSA-N
InChI=1S/C11H14O/c1-9(2)11(8-12)10-6-4-3-5-7-10/h3-9,11H,1-2H3

HIDE SMILES / InChI

Molecular Formula C11H14O
Molecular Weight 162.2283
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 Fri Dec 15 22:07:07 GMT 2023
Edited
by admin
on Fri Dec 15 22:07:07 GMT 2023
Record UNII
OC2500269O
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHYL-2-PHENYLBUTYRALDEHYDE
FHFI  
Systematic Name English
(±)-3-METHYL-2-PHENYLBUTYRALDEHYDE
Systematic Name English
BENZENEACETALDEHYDE, .ALPHA.-(1-METHYLETHYL)-
Systematic Name English
3-METHYL-2-PHENYLBUTYRALDEHYDE, (±)-
Systematic Name English
3-METHYL-2-PHENYLBUTYRALDEHYDE [FHFI]
Common Name English
.ALPHA.-ISOPROPYLPHENYLACETALDEHYDE
Systematic Name English
.ALPHA.-ISOPROPYL PHENYL ACETALDEHYDE
Systematic Name English
3-METHYL-2-PHENYLBUTANAL
Systematic Name English
FEMA NO. 2738
Code English
BUTYRALDEHYDE, 3-METHYL-2-PHENYL-
Systematic Name English
Classification Tree Code System Code
JECFA EVALUATION 3-METHYL-2-PHENYLBUTYRALDEHYDE
Created by admin on Fri Dec 15 22:07:07 GMT 2023 , Edited by admin on Fri Dec 15 22:07:07 GMT 2023
CFR 21 CFR 172.515
Created by admin on Fri Dec 15 22:07:07 GMT 2023 , Edited by admin on Fri Dec 15 22:07:07 GMT 2023
Code System Code Type Description
JECFA MONOGRAPH
1451
Created by admin on Fri Dec 15 22:07:07 GMT 2023 , Edited by admin on Fri Dec 15 22:07:07 GMT 2023
PRIMARY
ECHA (EC/EINECS)
219-461-6
Created by admin on Fri Dec 15 22:07:07 GMT 2023 , Edited by admin on Fri Dec 15 22:07:07 GMT 2023
PRIMARY
PUBCHEM
12255414
Created by admin on Fri Dec 15 22:07:07 GMT 2023 , Edited by admin on Fri Dec 15 22:07:07 GMT 2023
PRIMARY
EPA CompTox
DTXSID60862944
Created by admin on Fri Dec 15 22:07:07 GMT 2023 , Edited by admin on Fri Dec 15 22:07:07 GMT 2023
PRIMARY
CAS
2439-44-3
Created by admin on Fri Dec 15 22:07:07 GMT 2023 , Edited by admin on Fri Dec 15 22:07:07 GMT 2023
PRIMARY
FDA UNII
OC2500269O
Created by admin on Fri Dec 15 22:07:07 GMT 2023 , Edited by admin on Fri Dec 15 22:07:07 GMT 2023
PRIMARY