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Details

Stereochemistry RACEMIC
Molecular Formula C10H12O
Molecular Weight 148.2017
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-PHENYLBUTANAL

SMILES

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

InChI

InChIKey=MYHGOWDLVRDUFA-UHFFFAOYSA-N
InChI=1S/C10H12O/c1-9(7-8-11)10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3

HIDE SMILES / InChI

Molecular Formula C10H12O
Molecular Weight 148.2017
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

PubMed

PubMed

TitleDatePubMed
Patents

Patents

Substance Class Chemical
Created
by admin
on Sat Dec 16 10:55:02 GMT 2023
Edited
by admin
on Sat Dec 16 10:55:02 GMT 2023
Record UNII
1B5MVX2XGA
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-PHENYLBUTANAL
Systematic Name English
BENZENEPROPANAL, .BETA.-METHYL-
Systematic Name English
J82.489E
Code English
HYDROCINNAMALDEHYDE, .BETA.-METHYL-
Systematic Name English
3-METHYL-3-PHENYLPROPIONALDEHYDE
Systematic Name English
3-PHENYLBUTYLALDEHYDE
Systematic Name English
(±)-3-PHENYLBUTYRALDEHYDE
Systematic Name English
3-PHENYLBUTYRALDEHYDE
Systematic Name English
TRIFERNAL
Common Name English
(RS)-3-PHENYLBUTANAL
Systematic Name English
.BETA.-METHYLBENZENEPROPANAL
Systematic Name English
Code System Code Type Description
PUBCHEM
85979
Created by admin on Sat Dec 16 10:55:02 GMT 2023 , Edited by admin on Sat Dec 16 10:55:02 GMT 2023
PRIMARY
CAS
16251-77-7
Created by admin on Sat Dec 16 10:55:02 GMT 2023 , Edited by admin on Sat Dec 16 10:55:02 GMT 2023
PRIMARY
ECHA (EC/EINECS)
240-362-9
Created by admin on Sat Dec 16 10:55:02 GMT 2023 , Edited by admin on Sat Dec 16 10:55:02 GMT 2023
PRIMARY
EPA CompTox
DTXSID4047098
Created by admin on Sat Dec 16 10:55:02 GMT 2023 , Edited by admin on Sat Dec 16 10:55:02 GMT 2023
PRIMARY
FDA UNII
1B5MVX2XGA
Created by admin on Sat Dec 16 10:55:02 GMT 2023 , Edited by admin on Sat Dec 16 10:55:02 GMT 2023
PRIMARY
Related Record Type Details
ENANTIOMER -> RACEMATE
ENANTIOMER -> RACEMATE