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71077-33-3

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Basic Information
CAS No.: 71077-33-3
Name: BUTYL 2,2-BIS(4-HYDROXYPHENYL)ACETATE
Molecular Structure:
Molecular Structure of 71077-33-3 (BUTYL 2,2-BIS(4-HYDROXYPHENYL)ACETATE)
Formula: C18H20O4
Molecular Weight: 300.35
Synonyms: Butylbis(4-hydroxyphenyl)acetate;Butyl bis(p-hydroxyphenyl)acetate;
EINECS: 275-176-7
Density: 1.189 g/cm3
Melting Point: 130.6℃
Boiling Point: 461.6 °C at 760 mmHg
Flash Point: 165 °C
PSA: 66.76000
LogP: 3.57300
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Specification

The Benzeneacetic acid,4-hydroxy-a-(4-hydroxyphenyl)-, butyl ester, also known as Butyl bis(4-hydroxyphenyl)acetate, is an organic compound with the formula C18H20O4. Its EINECS registry number is 275-176-7. With the CAS registry number 71077-33-3, its IUPAC name is butyl 2,2-bis(4-hydroxyphenyl)acetate. The product should be sealed and stored in cool and dry place. What's more, it should be protected from oxides, sunlight, heat and base.

Physical properties of Benzeneacetic acid,4-hydroxy-a-(4-hydroxyphenyl)-, butyl ester: (1)ACD/LogP: 3.83; (2)ACD/LogD (pH 5.5): 3.83; (3)ACD/LogD (pH 7.4): 3.82; (4)ACD/BCF (pH 5.5): 479.02; (5)ACD/BCF (pH 7.4): 473.25; (6)ACD/KOC (pH 5.5): 2885.23; (7)ACD/KOC (pH 7.4): 2850.5; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 9; (11)Index of Refraction: 1.582; (12)Molar Refractivity: 84.27 cm3; (13)Molar Volume: 252.4 cm3; (14)Surface Tension: 49.8 dyne/cm; (15)Density: 1.189 g/cm3; (16)Flash Point: 165 °C; (17)Enthalpy of Vaporization: 75.01 kJ/mol; (18)Boiling Point: 461.6 °C at 760 mmHg; (19)Vapour Pressure: 3.86E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCOC(=O)C(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
(2)InChI: InChI=1S/C18H20O4/c1-2-3-12-22-18(21)17(13-4-8-15(19)9-5-13)14-6-10-16(20)11-7-14/h4-11,17,19-20H,2-3,12H2,1H3
(3)InChIKey: RFAHZZDUNWEBLG-UHFFFAOYSA-N