2-Isopropyl-2-adamantanol supplier

Name
2-Isopropyl-2-adamantanol
EINECS
CAS No. 38432-77-8
Article Data3
CAS DataBase
Density 1.039 g/cm³
Solubility
Melting Point
Formula C₁₃H₂₂O
Boiling Point 279.623 °C at 760 mmHg
Molecular Weight 194.317
Flash Point 116.657 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(Propan-2-yl)tricyclo[3.3.1.13,7]decan-2-ol;2-i-Propyl-2-adamantanol;
PSA 20.23000
LogP 2.82960

2-Isopropyl-2-adamantanol Specification

The 2-Isopropyl-2-adamantanol, with the CAS registry number 38432-77-8, is also known as 2-i-Propyl-2-adamantanol. This chemical's molecular formula is C₁₃H₂₂O and molecular weight is 194.31. What's more, its systematic name is 2-(propan-2-yl)tricyclo[3.3.1.13,7]decan-2-ol.

Physical properties of 2-Isopropyl-2-adamantanol are: (1)ACD/LogP: 3.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 319; (6)ACD/BCF (pH 7.4): 319; (7)ACD/KOC (pH 5.5): 2156; (8)ACD/KOC (pH 7.4): 2156; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.23 Å²; (13)Index of Refraction: 1.528; (14)Molar Refractivity: 57.582 cm³; (15)Molar Volume: 186.975 cm³; (16)Polarizability: 22.827×10^-24cm³; (17)Surface Tension: 38.358 dyne/cm; (18)Density: 1.039 g/cm³; (19)Flash Point: 116.657 °C; (20)Enthalpy of Vaporization: 60.163 kJ/mol; (21)Boiling Point: 279.623 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)C3(O)C1CC2CC3CC(C1)C2
(2)InChI: InChI=1S/C13H22O/c1-8(2)13(14)11-4-9-3-10(6-11)7-12(13)5-9/h8-12,14H,3-7H2,1-2H3
(3)InChIKey: ZYAFZSLKABJJJQ-UHFFFAOYSA-N

Product Name

2-Isopropyl-2-adamantanol

2-Isopropyl-2-adamantanol Specification

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