1,3-Bis(2-hydroxyethyl)adamantane supplier

Name
1,3-Bis(2-hydroxyethyl)adamantane
EINECS
CAS No. 80121-65-9
Article Data10
CAS DataBase
Density 1.126 g/cm³
Solubility
Melting Point 117-118℃
Formula C₁₄H₂₄O₂
Boiling Point 351.2 °C at 760 mmHg
Molecular Weight 224.343
Flash Point 163.6 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,3-Bis(2-hydroxyethyl)adamantane;
PSA 40.46000
LogP 2.33780

1,3-Bis(2-hydroxyethyl)adamantane Specification

The 1,3-Bis(2-hydroxyethyl)adamantane is an organic compound with the formula C₁₄H₂₄O₂. The systematic name of this chemical is 2,2'-tricyclo[3.3.1.1~3,7~]decane-1,3-diyldiethanol. With the CAS registry number 80121-65-9, it is also named as Tricyclo[3.3.1.13,7]decane-1,3-diethanol.

Physical properties about 1,3-Bis(2-hydroxyethyl)adamantane are: (1)ACD/LogP: 2.23; (2)#H bond acceptors: 2; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 6; (5)Polar Surface Area: 18.46 Å²; (6)Index of Refraction: 1.553; (7)Molar Refractivity: 63.74 cm³; (8)Molar Volume: 199.1 cm³; (9)Polarizability: 25.27×10^-24cm³; (10)Surface Tension: 56.4 dyne/cm; (11)Density: 1.126 g/cm³; (12)Flash Point: 163.6 °C; (13)Enthalpy of Vaporization: 69 kJ/mol; (14)Boiling Point: 351.2 °C at 760 mmHg; (15)Vapour Pressure: 2.47E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: OCCC13CC2CC(CC(C1)C2)(C3)CCO
(2)InChI: InChI=1/C14H24O2/c15-3-1-13-6-11-5-12(7-13)9-14(8-11,10-13)2-4-16/h11-12,15-16H,1-10H2
(3)InChIKey: VUROTIPIKUBXPR-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C14H24O2/c15-3-1-13-6-11-5-12(7-13)9-14(8-11,10-13)2-4-16/h11-12,15-16H,1-10H2
(5)Std. InChIKey: VUROTIPIKUBXPR-UHFFFAOYSA-N

Product Name

1,3-Bis(2-hydroxyethyl)adamantane

1,3-Bis(2-hydroxyethyl)adamantane Specification

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