1,18-Octadecanediol supplier

Name
1,18-Octadecanediol
EINECS
CAS No. 3155-43-9
Article Data28
CAS DataBase
Density 0.893 g/cm³
Solubility
Melting Point 91°C
Formula C₁₈H₃₈O₂
Boiling Point 397.4 °C at 760 mmHg
Molecular Weight 286.499
Flash Point 169.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,18-octadecanediol;Octadecane-1,18-diol
PSA 40.46000
LogP 5.21260

1,18-Octadecanediol Specification

The 1,18-Octadecanediol is an organic compound with the formula C₁₈H₃₈O₂. With the CAS registry number 3155-43-9, the systematic name of this chemical is octadecane-1,18-diol.

Physical properties about 1,18-Octadecanediol are: (1)ACD/LogP: 6.31; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.31; (4)ACD/LogD (pH 7.4): 6.31; (5)ACD/BCF (pH 5.5): 36678.99; (6)ACD/BCF (pH 7.4): 36678.99; (7)ACD/KOC (pH 5.5): 64386.31; (8)ACD/KOC (pH 7.4): 64386.31; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 19; (12)Polar Surface Area: 18.46 Å²; (13)Index of Refraction: 1.464; (14)Molar Refractivity: 88.51 cm³; (15)Molar Volume: 320.6 cm³; (16)Polarizability: 35.08×10^-24cm³; (17)Surface Tension: 35.3 dyne/cm; (18)Density: 0.893 g/cm³; (19)Flash Point: 169.1 °C; (20)Enthalpy of Vaporization: 74.89 kJ/mol; (21)Boiling Point: 397.4 °C at 760 mmHg; (22)Vapour Pressure: 5.77E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCCCCCCCCCCCCCCCCCO
(2)InChI: InChI=1/C18H38O2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20/h19-20H,1-18H2
(3)InChIKey: LUUFSCNUZAYHAT-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C18H38O2/c19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20/h19-20H,1-18H2
(5)Std. InChIKey: LUUFSCNUZAYHAT-UHFFFAOYSA-N

Product Name

1,18-Octadecanediol

1,18-Octadecanediol Specification

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