3-PHENYLBUTANAL

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 Search

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

Title	Date	PubMed
Inversion of stereoselectivity by applying mutants of the hydroxynitrile lyase from Manihot esculenta.	2005-04	15812786

Patents

Substance Class	Chemical Created by `admin` on `Mon Mar 31 23:30:30 GMT 2025` Edited by `admin` on `Mon Mar 31 23:30:30 GMT 2025`
Record UNII	1B5MVX2XGA
Record Status	`Validated (UNII)`
Record Version

Download

Name

Type

Language

J82.489E

Preferred Name

English

3-PHENYLBUTANAL

Systematic Name

English

BENZENEPROPANAL, .BETA.-METHYL-

Systematic Name

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