1,1-Bis(hydroxymethyl)cyclobutane supplier

Name
CYCLOBUTANE-1,1-DIYLDIMETHANOL
EINECS
CAS No. 4415-73-0
Density 1.09 g/cm³
Solubility
Melting Point
Formula C₆H₁₂O₂
Boiling Point 249.5 °C at 760 mmHg
Molecular Weight 116.16
Flash Point 122.6 °C
Transport Information
Appearance
Safety 26-39
Risk Codes 41
Molecular Structure
Hazard Symbols Xi
Synonyms (1-Hydroxymethylcyclobutyl)methanol;1,1-Bis(hydroxymethyl)cyclobutane;[1-(Hydroxymethyl)cyclobutan-1-yl]methanol;
PSA 40.46000
LogP 0.14130

1,1-Bis(hydroxymethyl)cyclobutane 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

Product Name

CYCLOBUTANE-1,1-DIYLDIMETHANOL

1,1-Bis(hydroxymethyl)cyclobutane Specification

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