CAS No.4415-73-0,CYCLOBUTANE-1,1-DIYLDIMETHANOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	4415-73-0
Name:	CYCLOBUTANE-1,1-DIYLDIMETHANOL

Formula:	C₆H₁₂O₂
Molecular Weight:	116.16
Synonyms:	(1-Hydroxymethylcyclobutyl)methanol;1,1-Bis(hydroxymethyl)cyclobutane;[1-(Hydroxymethyl)cyclobutan-1-yl]methanol;
Density:	1.09 g/cm³
Boiling Point:	249.5 °C at 760 mmHg
Flash Point:	122.6 °C
Hazard Symbols:	Xi
Risk Codes:	41
Safety:	26-39
PSA:	40.46000
LogP:	0.14130

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Specification

The 1,1-Bis(hydroxymethyl)cyclobutane, with the cas registry number 4415-73-0, has the systematic name of cyclobutane-1,1-diyldimethanol. And the molecular formula of the chemical is C₆H₁₂O₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: -0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.42; (4)ACD/LogD (pH 7.4): -0.42; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 14.02; (8)ACD/KOC (pH 7.4): 14.02; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.49; (14)Molar Refractivity: 30.8 cm³; (15)Molar Volume: 106.5 cm³; (16)Polarizability: 12.21×10^-24cm³; (17)Surface Tension: 52.4 dyne/cm; (18)Density: 1.09 g/cm³; (19)Flash Point: 122.6 °C; (20)Enthalpy of Vaporization: 56.55 kJ/mol; (21)Boiling Point: 249.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00365 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OCC1(CO)CCC1
(2)InChI: InChI=1/C6H12O2/c7-4-6(5-8)2-1-3-6/h7-8H,1-5H2
(3)InChIKey: AEBIBBWVNCPTNL-UHFFFAOYAA