4-Methoxycinnamate methyl ester

HCID 92841

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Basic information

CAS: 832-01-9
Standard SMILES: COC(=O)C=Cc1ccc(OC)cc1
InChIKey: VEZIKIAGFYZTCI-UHFFFAOYSA-N
Molecular formula: C11H12O3
Average molar mass: 192.21 g/mol
Monoisotopic mass: 192.07864424

Overview

photobiologically active; structure given in first source

Names & identifiers

Preferred name: 4-Methoxycinnamate methyl ester
IUPAC: methyl 3-(4-methoxyphenyl)prop-2-enoate
English name: Methyl 4-methoxycinnamate
Molecular formula: C11H12O3
Molecular weight: 192.21

Names & synonyms

4-Methoxycinnamate methyl ester2-Propenoic acid, 3-(4-methoxyphenyl)-, methyl esterRefChem:996394-methoxymethyl cinnamate832-01-9Cinnamic acid, p-methoxy-, methyl estermethyl (E)-3-(4-methoxyphenyl)-2-propenoatep-MethoxymethylcinnamateEINECS 212-614-8NSC 26461methyl-p-methoxycinnamateSCHEMBL1397478

Show more names

SPECS AE-641/05563005Methyl-methoxycinnamateMethyl-p-methoxycinnamatMETHYL P-METHOXYCINNAMATEMethyl 4-methoxycinnamateCinnamate, methyl p-methoxy-4-methoxycinnamatemethylester4-METHOXYCINNAMIC ACID METHYL ESTER(E)-Methyl 3-(4-Methoxyphenyl)acrylateMethyl (2E)-3-(4-methoxyphenyl)acrylate

METHYL-4-METHOXYCINNAMATEDB-075905

Database identifiers

CAS: 832-01-9
PubChem CID: 92841
DTXSID: DTXSID401312296
EC Number: 212-614-8

Properties

Computed structural properties

XLogP: 2.6
Topological polar surface area: 35.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 14
Formal charge: 0
Complexity: 203

Experimental & physicochemical properties

SpringerMaterials PropertiesChemical shift

Physicochemical properties

Melting point: 89 · 89-90°C
Boiling point: 268.19 °C · 268.19°C (rough estimate)
Density: 1.1503 · 1.1503 (rough estimate)
refractive index: 1.46 · 1.4600 (estimate)
storage temp.: Sealed in dry,Room Temperature
Appearance: White to off-white Solid
LogP: 2.51 · 2.510 (est)
CAS DataBase Reference: 832 · 832-01-9(CAS DataBase Reference)
FDA UNII: 1 F58T0S3Q7 · 1F58T0S3Q7
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312-P330
Risk Statements: 36 · 36/37/38
Safety Statements: 26 · 26-36/37/39
HS Code: 2918999090 · 2918999090

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2918999090
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
safety_code: 26-36/37/39
Hazard statements: H302
Precautionary statements: P264-P270-P301+P312-P330

Chemistry & industry

Suppliers53 total

Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

上海策嵘生物科技有限公司[email protected]

Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]

上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Additional notes

DefinitionChEBI: Methyl 4-methoxycinnamate is an alkyl cinnamate obtained by the formal condensation of carboxy group of 4-methoxycinnamic acid with methanol. It is a monomethoxybenzene and an alkyl cinnamate.