Isobutyraldehyde

Details

Stereochemistry	ACHIRAL
Molecular Formula	C4H8O
Molecular Weight	72.1057
Optical Activity	NONE
Defined Stereocenters	0 / 0
E/Z Centers	0
Charge	0

SHOW SMILES / InChI

SMILES

CC(C)C=O

InChI

InChIKey=AMIMRNSIRUDHCM-UHFFFAOYSA-N

InChI=1S/C4H8O/c1-4(2)3-5/h3-4H,1-2H3

HIDE SMILES / InChI

Molecular Formula	C4H8O
Molecular Weight	72.1057
Charge	0
Count	MOL RATIO 1 MOL RATIO (average)

Stereochemistry	ACHIRAL
Additional Stereochemistry	No
Defined Stereocenters	0 / 0
E/Z Centers	0
Optical Activity	NONE

Approval Year

PubMed

Show entries

Title	Date	PubMed
Volatiles, color, and lipid oxidation of broiler breast fillets irradiated before and after cooking.	2001 Dec	11771891
Branched-chain fatty acid biosynthesis in Escherichia coli.	2001 Oct	11687938
Assessment of acyl groups and reaction conditions in the competition between perhydrolysis and hydrolysis of acyl resorufins for developing an indicator reaction for fluorometric analysis of hydrogen peroxide.	2002 Feb	11848204
Quantification of aroma compounds in Parmigiano Reggiano cheese by a dynamic headspace gas chromatography-mass spectrometry technique and calculation of odor activity value.	2003 Mar	12703612
Stereoselective addition of dimethyl thiophosphite to imines.	2004 Apr 2	15049625

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Substance Class	Chemical
Record UNII	C42E28168L
Record Status	`Validated (UNII)`
Record Version

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Name

Type

Language

2-METHYLPROPANAL

Preferred Name

English

Isobutyraldehyde

Systematic Name

English

.ALPHA.-METHYLPROPIONALDEHYDE

Systematic Name

English

ISOBUTYRALDEHYDE [MI]

Common Name

English

ISOBUTYL ALDEHYDE

Common Name

English

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Classification Tree

Code System

Code

FUNCTIONAL CLASSIFICATION

JECFA EVALUATION

ISOBUTYRALDEHYDE

Subpart F--Flavoring Agents and Related Substances

CFR

21 CFR 172.515

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Code System

Code

Type

Description

JECFA MONOGRAPH

55

PRIMARY

EVMPD

SUB178198

PRIMARY

HSDB

614

PRIMARY

FDA UNII

C42E28168L

PRIMARY

SMS_ID

100000163880

PRIMARY

Showing 1 to 5 of 15 entries

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SMILES

InChI

Approval Year

PubMed

Patents