Benzoic acid,4-hydroxy-, 1,1-dimethylethyl ester supplier

Name
tert-butyl 4-hydroxybenzoate
EINECS 247-272-9
CAS No. 25804-49-3
Article Data41
CAS DataBase
Density 1.108 g/cm³
Solubility
Melting Point 130-132 °C(Solv: ethyl ether (60-29-7); ligroine (8032-32-4))
Formula C₁₁H₁₄O₃
Boiling Point 295.573 °C at 760 mmHg
Molecular Weight 194.23
Flash Point 121.533 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Benzoicacid, p-hydroxy-, tert-butyl ester (8CI);4-(tert-Butoxycarbonyl)phenol;4-Hydroxybenzoic acid tert-butyl ester;p-Hydroxybenzoic acid tert-butyl ester;tert-Butyl 4-hydroxybenzoate;tert-Butyl p-hydroxybenzoate;
PSA 46.53000
LogP 2.34750

Benzoic acid,4-hydroxy-, 1,1-dimethylethyl ester Specification

The Benzoic acid,4-hydroxy-, 1,1-dimethylethyl ester, with the CAS registry number 25804-49-3, is also known as tert-Butyl p-hydroxybenzoate. This chemical's molecular formula is C₁₁H₁₄O₃ and molecular weight is 194.23. What's more, its systematic name is tert-Butyl 4-hydroxybenzoate and its EINECS number is 247-272-9.

Physical properties of Benzoic acid,4-hydroxy-, 1,1-dimethylethyl ester are: (1)ACD/LogP: 3.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.155; (4)ACD/LogD (pH 7.4): 3.099; (5)ACD/BCF (pH 5.5): 147.169; (6)ACD/BCF (pH 7.4): 129.159; (7)ACD/KOC (pH 5.5): 1239.115; (8)ACD/KOC (pH 7.4): 1087.474; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.53 Å²; (13)Index of Refraction: 1.525; (14)Molar Refractivity: 53.772 cm³; (15)Molar Volume: 175.325 cm³; (16)Polarizability: 21.317×10^-24cm³; (17)Surface Tension: 40.242 dyne/cm; (18)Density: 1.108 g/cm³; (19)Flash Point: 121.533 °C; (20)Enthalpy of Vaporization: 55.672 kJ/mol; (21)Boiling Point: 295.573 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)c1ccc(cc1)O
(2)InChI: InChI=1/C11H14O3/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h4-7,12H,1-3H3
(3)InChIKey: WHWMOMRHHQLBQQ-UHFFFAOYSA-N

Product Name

tert-butyl 4-hydroxybenzoate

Benzoic acid,4-hydroxy-, 1,1-dimethylethyl ester Specification

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