1,1-Diphenylbutane-1,4-diol supplier

Name
1,1-Diphenylbutane-1,4-diol
EINECS 213-827-9
CAS No. 1023-94-5
Article Data25
CAS DataBase
Density 1.131 g/cm³
Solubility
Melting Point 108 °C
Formula C₁₆H₁₈O₂
Boiling Point 434.8 °C at 760 mmHg
Molecular Weight 242.318
Flash Point 208.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,1-Diphenylbutane-1,4-diol;1,4-Dihydroxy-4,4-diphenylbutane;NSC 85870;
PSA 40.46000
LogP 2.69500

1,1-Diphenylbutane-1,4-diol Specification

This chemical is called 1,1-Diphenylbutane-1,4-diol, and it can also be named as 1,4-butanediol, 1,1-diphenyl-. With the molecular formula of C₁₆H₁₈O₂, its molecular weight is 242.31. The CAS registry number of this chemical is 1023-94-5.

Other characteristics of the 1,1-Diphenylbutane-1,4-diol can be summarised as followings: (1)ACD/LogP: 2.53; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.53; (4)ACD/LogD (pH 7.4): 2.53; (5)ACD/BCF (pH 5.5): 49.33; (6)ACD/BCF (pH 7.4): 49.33; (7)ACD/KOC (pH 5.5): 566.96; (8)ACD/KOC (pH 7.4): 566.96; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.588; (14)Molar Refractivity: 72.1 cm³; (15)Molar Volume: 214.2 cm³; (16)Polarizability: 28.58×10^-24cm³; (17)Surface Tension: 47.7 dyne/cm; (18)Density: 1.131 g/cm³; (19)Flash Point: 208.1 °C; (20)Enthalpy of Vaporization: 72.83 kJ/mol; (21)Boiling Point: 434.8 °C at 760 mmHg; (22)Vapour Pressure: 2.49E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: OC(c1ccccc1)(c2ccccc2)CCCO
2.InChI: InChI=1/C16H18O2/c17-13-7-12-16(18,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,17-18H,7,12-13H2
3.InChIKey: FMSXBGXFTZSEAU-UHFFFAOYAK
4.Std. InChI: InChI=1S/C16H18O2/c17-13-7-12-16(18,14-8-3-1-4-9-14)15-10-5-2-6-11-15/h1-6,8-11,17-18H,7,12-13H2
5.Std. InChIKey: FMSXBGXFTZSEAU-UHFFFAOYSA-N

Product Name

1,1-Diphenylbutane-1,4-diol

1,1-Diphenylbutane-1,4-diol Specification

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