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Receptors

Compound Summary

General Compound Information

3-Methyl-2-butenal

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Description

3-methylbut-2-enal is an enal consisting of but-2-ene with a methyl substituent at position 3 and an oxo group at position 1. It has a role as a metabolite. It is functionally related to a 3-methylbut-2-enoic acid.

Synonyms

3-Methyl-2-butenal; 107-86-8; 3-Methylbut-2-enal; 3-Methylcrotonaldehyde; Senecialdehyde;

Prenal;3,3-Dimethylacrolein;Senecioaldehyde;2-BUTENAL, 3-METHYL-;Crotonaldehyde, 3-methyl-;beta,beta-Dimethylacrolein;beta-Methylcrotonaldehyde;3,3-Dimethylacrylaldehyde;3-methyl-2-buten-1-al;beta,beta-Dimethylacrylic aldehyde;3,3-Dimethyl-acrylaldehyde;Butenal, 3-methyl-;FEMA No. 3646;.beta.-Methylcrotonaldehyde;NSC 149164;.beta.,.beta.-Dimethylacrolein;3-methyl-but-2-enal;3-methyl-2-butenaldehyde;DTXSID8029606;CHEBI:15825;2JZ2B60W76;MFCD00010291;NSC-149164;.beta.,.beta.-Dimethylacrylic aldehyde;EINECS 203-527-6;UNII-2JZ2B60W76;3-methylbutenal;dimethylacroleine;p-renal;3-Methylbuta-1,2-dien-1-ol;90467-71-3;dimethyl acroleine;3,3-dimethyl-acrolein;3-methyl-crotonaldehyde;3- Methyl-2-Butenal;3-Methyl-2-Crotonaldehyde;bmse000474;EC 203-527-6;SENECIALDEHYDE [MI];3-methyl-but-2-en-1-al;3-Methyl-2-butenal, 97%;3-Methylcrotonaldehyde, 97%;CHEMBL453815;DTXCID509606;DTXSID30756462;2-METHYL-2-BUTEN-4-AL;3-METHYL-(E)-2-BUTENAL;Crotonaldehyde, 3-methyl- (8CI);AMY42093;3-METHYL-2-BUTENAL [FHFI];Tox21_200149;NSC149164;3-Methyl-2-butenal, >=97%, FG;AKOS007930505;ZINC100006189;NCGC00248542-01;NCGC00257703-01;CAS-107-86-8;3-Methylcrotonaldehyde, analytical standard;DB-003409;FT-0616061;M0770;EN300-55189;C07330;A801771;J-002025;Q27098245;

FlavorDB ID

4377

PUBCHEM ID

61020

Molecular Weight

84.12

Molecular Formula

C5H8O

Openeye Can Smiles

CC(=CC=O)C

IUPAC Inchikey

SEPQTYODOKLVSB-UHFFFAOYSA-N

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Similarity

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Compound Classification

Compound classification information is not available!

Compound Quality

CATEGORY	QUALITY	THRESHOLD	OCCURENCE	REFERENCE
smell	rancid, putrid		water	details
smell	rancid, putrid	1.784e-3 µmol/L	water	details

Compound Toxicity and Food Additive Safety (OFAS)

Toxicity Summary
Link to the Distributed Structure-Searchable Toxicity (DSSTox) Database

Receptors

Receptor information of this compound is not available!

Consensus Spectra

Spectrum Type	Spectrum View	Description	Polarity
Experimental GCMS	view	GCMS	positive
Experimental LCMS	view	LCMS_Positive	positive