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CAS No.: | 105211-78-7 |
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Name: | 4-HYDROXY-3-PROPYLBENZOIC ACID METHYL ESTER |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C11H14O3 |
Molecular Weight: | 194.23 |
Synonyms: | 4-Hydroxy-3-propylbenzoicacid methyl ester;Methyl 4-hydroxy-3-propylbenzoate; |
EINECS: | 604-604-1 |
Density: | 1.109 g/cm3 |
Boiling Point: | 315.2 °C at 760 mmHg |
Flash Point: | 132.5 °C |
Hazard Symbols: | Xn |
Risk Codes: | 22 |
PSA: | 46.53000 |
LogP: | 2.13130 |
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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: 21.44×10-24 cm3; (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