4-Methoxycinnamic acid ethyl ester supplier

Name
4-METHOXYCINNAMIC ACID ETHYL ESTER
EINECS 217-679-6
CAS No. 1929-30-2
Article Data118
CAS DataBase
Density 1.08 g/cm³
Solubility
Melting Point 50 °C
Formula C₁₂H₁₄O₃
Boiling Point 325.13 °C at 760 mmHg
Molecular Weight 206.241
Flash Point 133.763 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Cinnamicacid, p-methoxy-, ethyl ester (6CI,7CI,8CI);3-(4-Methoxyphenyl)-2-propenoicacid ethyl ester;3-(4-Methoxyphenyl)acrylic acid ethyl ester;Ethyl 3-(4-methoxyphenyl)acrylate;Ethyl4-methoxycinnamate;Ethyl p-methoxycinnamate;Methyl-p-coumaric acid ethylester;NSC 26462;NSC 44831;NSC 636698;
PSA 35.53000
LogP 2.27150

4-Methoxycinnamic acid ethyl ester Specification

The 2-Propenoic acid,3-(4-methoxyphenyl)-, ethyl ester, with the CAS registry number 1929-30-2, is also known as NSC44831. It belongs to the product category of Aromatic Esters. Its EINECS registry number is 217-679-6. This chemical's molecular formula is C₁₂H₁₄O₃ and molecular weight is 206.23776. Its IUPAC name is called ethyl 3-(4-methoxyphenyl)prop-2-enoate.

Physical properties of 2-Propenoic acid,3-(4-methoxyphenyl)-, ethyl ester: (1)ACD/LogP: 3.02; (2)ACD/LogD (pH 5.5): 3.02; (3)ACD/LogD (pH 7.4): 3.02; (4)ACD/BCF (pH 5.5): 116.196; (5)ACD/BCF (pH 7.4): 116.196; (6)ACD/KOC (pH 5.5): 1046.825; (7)ACD/KOC (pH 7.4): 1046.825; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 5; (10)Index of Refraction: 1.54; (11)Molar Refractivity: 59.861 cm³; (12)Molar Volume: 190.907 cm³; (13)Surface Tension: 37.115 dyne/cm; (14)Density: 1.08 g/cm³; (15)Flash Point: 133.763 °C; (16)Enthalpy of Vaporization: 56.722 kJ/mol; (17)Boiling Point: 325.13 °C at 760 mmHg; (18)Vapour Pressure: 0 mmHg at 25°C.

Preparation: this chemical can be prepared by 4-methoxy-benzaldehyde and acetic acid ethyl ester. This reaction will need reagent P(i-PrNCH₂CH₂)₂(NHCH₂CH₂)N and isobutyronitrile. The reaction time is 2 hours with reaction temperature of 40 °C. The yield is about 75%.

Uses of 2-Propenoic acid,3-(4-methoxyphenyl)-, ethyl ester: it can be used to produce 5-(4-methoxy-phenyl)-[1,2]dithiol-3-one at temperature of 220 - 230 °C. This reaction will need reagent S with reaction time of 16 hours. The yield is about 30%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C=CC1=CC=C(C=C1)OC
(2)InChI: InChI=1S/C12H14O3/c1-3-15-12(13)9-6-10-4-7-11(14-2)8-5-10/h4-9H,3H2,1-2H3
(3)InChIKey: DHNGCHLFKUPGPX-UHFFFAOYSA-N

Product Name

4-METHOXYCINNAMIC ACID ETHYL ESTER

4-Methoxycinnamic acid ethyl ester Specification

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