ChemicalBook--->CAS DataBase List--->3943-97-3

3943-97-3

3943-97-3 Structure

3943-97-3 Structure
IdentificationMore
[Name]

Methyl 4-hydroxycinnamate
[CAS]

3943-97-3
[Synonyms]

4-HYDROXYCINNAMIC ACID METHYL ESTER
METHYL 3-(4-HYDROXYPHENYL)ACRYLATE
METHYL 4-COUMARATE
METHYL 4-HYDROXYCINNAMATE
METHYL COUMARATE
METHYL P-HYDROXYCINNAMATE
TIMTEC-BB SBB002393
2-Propenoic acid, 3-(4-hydroxyphenyl)-, methyl ester
4-coumaricacidmethylester
Cinnamic acid, p-hydroxy-, methyl ester
Methyl (2E)-3-(4-hydroxyphenyl)-2-propenoate
Methyl ester of p-Hydroxycinnamic acid
Methyl p-coumarate
p-Coumaric acid methyl ester
METHYLPARA-COUMARATE
P-Hydroxyl methyl cinnamate
3-(4-Hydroxyphenyl)acrylic acid methyl ester
3-(4-Hydroxyphenyl)propenoic acid methyl ester
4-Hydroxybenzeneacrylic acid methyl
4-Hydroxybenzeneacrylic acid methyl ester
[EINECS(EC#)]

223-531-1
[Molecular Formula]

C10H10O3
[MDL Number]

MFCD00157167
[Molecular Weight]

178.18
[MOL File]

3943-97-3.mol
Chemical PropertiesBack Directory
[Melting point ]

144-145°
[Boiling point ]

306.6±17.0 °C(Predicted)
[density ]

1?+-.0.06 g/cm3(Predicted)
[vapor pressure ]

0.056Pa at 25℃
[storage temp. ]

Inert atmosphere,Room Temperature
[form ]

crystals
[pka]

8.82±0.13(Predicted)
[color ]

White
[Water Solubility ]

5.332g/L at 25℃
[InChI]

InChI=1S/C10H10O3/c1-13-10(12)7-4-8-2-5-9(11)6-3-8/h2-7,11H,1H3
[InChIKey]

NITWSHWHQAQBAW-UHFFFAOYSA-N
[SMILES]

C(OC)(=O)C=CC1=CC=C(O)C=C1
[LogP]

1.88 at 25℃
[CAS DataBase Reference]

3943-97-3(CAS DataBase Reference)
[NIST Chemistry Reference]

2-Propenoic acid, 3-(4-hydroxyphenyl)-, methyl ester(3943-97-3)
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319
[Precautionary statements ]

P261-P302+P352-P305+P351+P338
[REACH Registrations]

Active
[HazardClass ]

IRRITANT
[HS Code ]

2916399090
Hazard InformationBack Directory
[Description]

Methyl 4-hydroxycinnamate is an atifungal agent and a cinnamic acid derivative used in structure-antifungal activity relationship studies against Aspergillus flavus, Aspergillus terreus, and Aspergillus niger.
[Occurrence]

Methyl 4-hydroxycinnamate isolated from the herbs of Piper longum, Alpinia blepharocalyx, and Grevillea robusta.
[Uses]

3-(4-Hydroxyphenyl)-2-propenoic Acid Methyl Ester is used in the synthesis of AB3 and constitutional isomeric AB2 phenylpropyl ether-based supramolecular dendrimers. Also used in the synthesis of potent antagonists of leukotrines.
[Definition]

ChEBI: 4-coumaric acid methyl ester is a cinnamate ester that is the methyl ester of 4-coumaric acid. It has a role as a melanin synthesis inhibitor, a fungal metabolite, an anti-inflammatory agent, an antifungal agent and a plant metabolite. It is a cinnamate ester, a member of phenols and a methyl ester. It derives from a 4-coumaric acid.
[Synthesis Reference(s)]

Chemical and Pharmaceutical Bulletin, 28, p. 3662, 1980 DOI: 10.1248/cpb.28.3662
[storage]

Store at -20°C
Spectrum DetailBack Directory
[Spectrum Detail]

Methyl 4-hydroxycinnamate(3943-97-3)1HNMR
Methyl 4-hydroxycinnamate(3943-97-3)FT-IR
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