CAS No.24041-60-9,(+)-ISOPINOCAMPHEOL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	24041-60-9
Name:	(+)-ISOPINOCAMPHEOL
Article Data:	45

Formula:	C₁₀H₁₈O
Molecular Weight:	154.252
Synonyms:	3-Pinanol,(1S,2S,3S,5R)-(+)- (8CI);Bicyclo[3.1.1]heptan-3-ol, 2,6,6-trimethyl-, [1S-(1a,2b,3a,5a)]-;(+)-Isopinocampheol;(1S,2S,3S,5R)-(+)-Isopinocampheol;(1S,2S,3S,5R)-Isopinocampheol;
EINECS:	245-998-0
Density:	0.96g/cm³
Melting Point:	52-55 °C
Boiling Point:	217 °C at 760 mmHg
Flash Point:	84.4 °C
PSA:	20.23000
LogP:	2.04940

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Specification

The (1S,2S,3S,5R)-(+)-Isopinocampheol with the cas number 24041-60-9 is also called Bicyclo[3.1.1]heptan-3-ol,2,6,6-trimethyl-, (1S,2S,3S,5R)-. The systematic name is (1S-(1alpha,2beta,3alpha,5alpha))-2,6,6-Trimethylbicyclo(3.1.1)heptan-3-ol. Its molecular formula is C₁₀H₁₈O. The EINECS registry number is 245-998-0.

The properties of the chemical are: (1)ACD/LogP: 2.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.72; (4)ACD/LogD (pH 7.4): 2.72; (5)ACD/BCF (pH 5.5): 68.69; (6)ACD/BCF (pH 7.4): 68.69; (7)ACD/KOC (pH 5.5): 718.57; (8)ACD/KOC (pH 7.4): 718.57; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: Å²; (13)Index of Refraction: 1.484; (14)Molar Refractivity: 45.95 cm³; (15)Molar Volume: 160.6 cm³; (16)Polarizability: 18.21×10^-24cm³; (17)Surface Tension: 30.7 dyne/cm; (18)Enthalpy of Vaporization: 52.72 kJ/mol; (19)Vapour Pressure: 0.0292 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C1[C@@H]([C@H]([C@H]2C(C)(C)[C@H]1C2)C)O
(2)InChI: InChI=1/C10H18O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-9,11H,4-5H2,1-3H3/t6-,7+,8-,9-/m0/s1