Benzenepropanoic acid, 3-hydroxy-, methyl ester supplier

Name
METHYL 3-(3-HYDROXYPHENYL)PROPIONATE
EINECS
CAS No. 61389-68-2
Article Data20
CAS DataBase
Density 1.146 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₂O₃
Boiling Point 294.8 °C at 760 mmHg
Molecular Weight 180.203
Flash Point 125 °C
Transport Information
Appearance
Safety 24/25
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms Methyl 3-(3-hydroxyphenyl)propanoate;Methyl 3-(3-hydroxyphenyl)propionate;
PSA 46.53000
LogP 1.49780

Benzenepropanoic acid, 3-hydroxy-, methyl ester Specification

The Benzenepropanoic acid, 3-hydroxy-, methyl ester, with the CAS registry number 61389-68-2, is also known as Methyl 3-(3-hydroxyphenyl)propionate. It belongs to the product category of Pharmacetical. This chemical's molecular formula is C₁₀H₁₂O₃ and molecular weight is 180.2. What's more, its systematic name is methyl 3-(3-hydroxyphenyl)propanoate. When using it, you should avoid contact with skin and eyes.

Physical properties of Benzenepropanoic acid, 3-hydroxy-, methyl ester are: (1)ACD/LogP: 1.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.52; (4)ACD/LogD (pH 7.4): 1.52; (5)ACD/BCF (pH 5.5): 8.45; (6)ACD/BCF (pH 7.4): 8.42; (7)ACD/KOC (pH 5.5): 160.31; (8)ACD/KOC (pH 7.4): 159.76; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.532; (14)Molar Refractivity: 48.72 cm³; (15)Molar Volume: 157.1 cm³; (16)Polarizability: 19.31×10^-24cm³; (17)Surface Tension: 43.2 dyne/cm; (18)Density: 1.146 g/cm³; (19)Flash Point: 125 °C; (20)Enthalpy of Vaporization: 55.59 kJ/mol; (21)Boiling Point: 294.8 °C at 760 mmHg; (22)Vapour Pressure: 0.000899 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)CCC1=CC(=CC=C1)O
(2)InChI: InChI=1S/C10H12O3/c1-13-10(12)6-5-8-3-2-4-9(11)7-8/h2-4,7,11H,5-6H2,1H3
(3)InChIKey: IIFOKIAATXLZIB-UHFFFAOYSA-N

Product Name

METHYL 3-(3-HYDROXYPHENYL)PROPIONATE

Benzenepropanoic acid, 3-hydroxy-, methyl ester Specification

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