CAS No.14451-86-6,2-BUTYL-2-ADAMANTANOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	14451-86-6
Name:	2-BUTYL-2-ADAMANTANOL

Formula:	C₁₄H₂₄O
Molecular Weight:	208.3398
Synonyms:	2-Adamantanol,2-butyl- (8CI);2-Butyl-2-adamantanol;
Density:	1.014 g/cm³
Melting Point:	79 °C
Boiling Point:	291.483 °C at 760 mmHg
Flash Point:	121.989 °C
PSA:	20.23000
LogP:	3.36380

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Specification

The Tricyclo[3.3.1.1^3,7]decan-2-ol,2-butyl-, with the CAS registry number 14451-86-6, is also known as 2-Butyladamantan-2-ol. This chemical's molecular formula is C₁₄H₂₄O and molecular weight is 208.3398. Its systematic name is called 2-butyltricyclo[3.3.1.13,7]decan-2-ol.

Physical properties of Tricyclo[3.3.1.1^3,7]decan-2-ol,2-butyl-: (1)ACD/LogP: 4.39; (2)ACD/LogD (pH 5.5): 4; (3)ACD/LogD (pH 7.4): 4; (4)ACD/BCF (pH 5.5): 1114; (5)ACD/BCF (pH 7.4): 1114; (6)ACD/KOC (pH 5.5): 5281; (7)ACD/KOC (pH 7.4): 5281; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Index of Refraction: 1.519; (12)Molar Refractivity: 62.31 cm³; (13)Molar Volume: 205.451 cm³; (14)Surface Tension: 38.764 dyne/cm; (15)Density: 1.014 g/cm³; (16)Flash Point: 121.989 °C; (17)Enthalpy of Vaporization: 61.602 kJ/mol; (18)Boiling Point: 291.483 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCCC3(O)C1CC2CC3CC(C1)C2
(2)InChI: InChI=1/C14H24O/c1-2-3-4-14(15)12-6-10-5-11(8-12)9-13(14)7-10/h10-13,15H,2-9H2,1H3
(3)InChIKey: PXRAOOXXPGRCJZ-UHFFFAOYAE