Benzeneacetic acid, a-methoxy-, methyl ester supplier

Name
METHOXY-PHENYL-ACETIC ACID METHYL ESTER
EINECS
CAS No. 3558-61-0
Article Data61
CAS DataBase
Density 1.086 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₂O₃
Boiling Point 258 °C at 760 mmHg
Molecular Weight 180.203
Flash Point 88.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Aceticacid, methoxyphenyl-, methyl ester (6CI,7CI,8CI);Methyl2-methoxy-2-phenylacetate;Methyl o-methylmandelate;Methyl a-methoxyphenylacetate;NSC401792;a-Methoxyphenylacetic acid methylester;Methoxy-phenyl-acetic acid methyl e; ster;Methyl methoxy(phenyl)acetate;
PSA 35.53000
LogP 1.54710

Benzeneacetic acid, a-methoxy-, methyl ester Specification

The Benzeneacetic acid, a-methoxy-, methyl ester, with the CAS registry number 3558-61-0, has the systematic name of methyl methoxy(phenyl)acetate. It is also called Methoxy-phenyl-acetic acid methyl ester. And the molecular formula of this chemical is C₁₀H₁₂O₃.

The physical properties of Benzeneacetic acid, a-methoxy-, methyl ester are as following: (1)ACD/LogP: 2.27; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 4; (6)Polar Surface Area: 35.53 Å²; (7)Index of Refraction: 1.497; (8)Molar Refractivity: 48.59 cm³; (9)Molar Volume: 165.8 cm³; (10)Polarizability: 19.26×10^-24cm³; (11)Surface Tension: 36 dyne/cm; (12)Density: 1.086 g/cm³; (13)Flash Point: 88.3 °C; (14)Enthalpy of Vaporization: 49.56 kJ/mol; (15)Boiling Point: 258 °C at 760 mmHg; (16)Vapour Pressure: 0.014 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)C(OC)c1ccccc1
(2)InChI: InChI=1/C10H12O3/c1-12-9(10(11)13-2)8-6-4-3-5-7-8/h3-7,9H,1-2H3
(3)InChIKey: SMHXGVJSDWUGKC-UHFFFAOYAE

Product Name

METHOXY-PHENYL-ACETIC ACID METHYL ESTER

Benzeneacetic acid, a-methoxy-, methyl ester Specification

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