isocrotonic acid

Modify Date: 2026-07-04 12:57:46

isocrotonic acid Structure
isocrotonic acid structure
Common Name isocrotonic acid
CAS Number 503-64-0 Molecular Weight 86.08920
Density 1.039g/cm3 Boiling Point 177ºC at 760mmHg
Molecular Formula C4H6O2 Melting Point 12.5-14ºC
MSDS N/A Flash Point 81.6ºC

 Names

Name isocrotonic acid
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.039g/cm3
Boiling Point 177ºC at 760mmHg
Melting Point 12.5-14ºC
Molecular Formula C4H6O2
Molecular Weight 86.08920
Flash Point 81.6ºC
Exact Mass 86.03680
PSA 37.30000
LogP 0.64710
Index of Refraction 1.448
InChIKey LDHQCZJRKDOVOX-IHWYPQMZSA-N
SMILES CC=CC(=O)O

 Safety Information

HS Code 2916190090

 Synthetic Route

 Customs

HS Code 2916190090
Summary 2916190090 unsaturated acyclic monocarboxylic acids, their anhydrides, halides, peroxides, peroxyacids and their derivatives。supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward)。VAT:17.0%。tax rebate rate:9.0%。MFN tariff:6.5%。general tariff:30.0%

 isocrotonic acidBioassay

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Name: p53 small molecule agonists, cell-based qHTS assay
Source: 824
External Id: P53344
Name: p53 small molecule agonists, cell-based qHTS assay with human liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS233
Name: p53 small molecule agonists, cell-based qHTS assay with rat liver microsomes
Source: 824
Target: tumor suppressor p53 [Homo sapiens]
External Id: P53MS898
Name: Toxicity in po dosed mouse
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL1220788
Name: Toxicity in po dosed ICR mouse assessed as decreased in mobility after 3 hrs
Source: ChEMBL
Target: Mus musculus
External Id: CHEMBL1220652
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 Synonyms

cis-6,cis-11-Methyl-octadecadienoat
(Z)-2-butenic acid
cis-cis-6,11-Octadecadiensaeure-methylester
(Z)-buten-2-enoic acid
6,11-Octadecadienoic acid,methyl ester,(Z,Z)
cis,cis-Octadeca-6,11-diensaeure-methylester
(2Z)-2-Butenoic acid
cis-clomiphene citrate
cis-Crotonic acid
clomphencitrate
(Z)-but-2-enoic acid
Methyl-cis,cis-octadeca-6,11-dienoat
clomifen citrate
I-Dihydrocitrat
zuclomiphene citrate
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