Benzoic acid,4-hydroxy-3-propyl-, methyl ester supplier

Name
4-HYDROXY-3-PROPYLBENZOIC ACID METHYL ESTER
EINECS 604-604-1
CAS No. 105211-78-7
Article Data6
CAS DataBase
Density 1.109 g/cm³
Solubility
Melting Point
Formula C₁₁H₁₄O₃
Boiling Point 315.2 °C at 760 mmHg
Molecular Weight 194.23
Flash Point 132.5 °C
Transport Information
Appearance
Safety
Risk Codes 22
Molecular Structure
Hazard Symbols Xn
Synonyms 4-Hydroxy-3-propylbenzoicacid methyl ester;Methyl 4-hydroxy-3-propylbenzoate;
PSA 46.53000
LogP 2.13130

Benzoic acid,4-hydroxy-3-propyl-, methyl ester Specification

The Benzoic acid,4-hydroxy-3-propyl-, methyl ester, with the CAS registry number 105211-78-7, is also known as 4-Hydroxy-3-propylbenzoicacid methyl ester. This chemical's molecular formula is C₁₁H₁₄O₃ and molecular weight is 194.23. What's more, its systematic name is Methyl 4-hydroxy-3-propylbenzoate.

Physical properties of Benzoic acid,4-hydroxy-3-propyl-, methyl ester are: (1)ACD/LogP: 3.39; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 35.53 Å²; (7)Index of Refraction: 1.53; (8)Molar Refractivity: 54.08 cm³; (9)Molar Volume: 175 cm³; (10)Polarizability: 21.44×10^-24cm³; (11)Surface Tension: 41.1 dyne/cm; (12)Density: 1.109 g/cm³; (13)Flash Point: 132.5 °C; (14)Enthalpy of Vaporization: 57.86 kJ/mol; (15)Boiling Point: 315.2 °C at 760 mmHg; (16)Vapour Pressure: 0.00024 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCC1=C(C=CC(=C1)C(=O)OC)O
(2)InChI: InChI=1S/C11H14O3/c1-3-4-8-7-9(11(13)14-2)5-6-10(8)12/h5-7,12H,3-4H2,1-2H3
(3)InChIKey: BBGUEJVSGMTLIT-UHFFFAOYSA-N

Product Name

4-HYDROXY-3-PROPYLBENZOIC ACID METHYL ESTER

Benzoic acid,4-hydroxy-3-propyl-, methyl ester Specification

Related Products

Hot Products