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CAS No.: | 2496-90-4 |
---|---|
Name: | 4-HYDROXYBENZOIC ACID 2-HYDROXYETHYL ESTER |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C9H10O4 |
Molecular Weight: | 182.176 |
Synonyms: | Benzoicacid, p-hydroxy-, 2-hydroxyethyl ester (6CI,7CI,8CI);Ethylene glycol,mono(p-hydroxybenzoate) (8CI);2-Hydroxyethyl 4-hydroxybenzoate;2-Hydroxyethyl p-hydroxybenzoate;4-Hydroxybenzoic acid 2-hydroxyethyl ester; |
Density: | 1.303 g/cm3 |
Melting Point: | 141 °C |
Boiling Point: | 370.4 °C at 760 mmHg |
Flash Point: | 152.7 °C |
Risk Codes: | 36 |
Safety: | 26 |
PSA: | 66.76000 |
LogP: | 0.54130 |
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The Benzoicacid, 4-hydroxy-, 2-hydroxyethyl ester, with the CAS registry number 2496-90-4, is also known as 4-Hydroxybenzoic acid 2-hydroxyethyl ester. This chemical's molecular formula is C9H10O4 and molecular weight is 182.17. What's more, its systematic name is 2-Hydroxyethyl 4-hydroxybenzoate.
Physical properties of Benzoicacid, 4-hydroxy-, 2-hydroxyethyl ester are: (1)ACD/LogP: 0.79; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 2; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 44.76 Å2; (7)Index of Refraction: 1.573; (8)Molar Refractivity: 46.07 cm3; (9)Molar Volume: 139.7 cm3; (10)Polarizability: 18.26×10-24 cm3; (11)Surface Tension: 56.7 dyne/cm; (12)Density: 1.303 g/cm3; (13)Flash Point: 152.7 °C; (14)Enthalpy of Vaporization: 65.12 kJ/mol; (15)Boiling Point: 370.4 °C at 760 mmHg; (16)Vapour Pressure: 3.85E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCO)c1ccc(O)cc1
(2)InChI: InChI=1/C9H10O4/c10-5-6-13-9(12)7-1-3-8(11)4-2-7/h1-4,10-11H,5-6H2
(3)InChIKey: GFHGEIJFEHZKHZ-UHFFFAOYSA-N