Bicyclo[3.1.1]heptan-3-ol,2,6,6-trimethyl-, (1R,2R,3R,5S)-rel- supplier

Name
(+)-ISOPINOCAMPHEOL
EINECS 248-657-4
CAS No. 27779-29-9
Article Data41
CAS DataBase
Density 0.96 g/cm³
Solubility
Melting Point 52-55 °C
Formula C₁₀H₁₈O
Boiling Point 217 °C at 760 mmHg
Molecular Weight 154.252
Flash Point 84.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Bicyclo[3.1.1]heptan-3-ol,2,6,6-trimethyl-, (1a,2b,3a,5a)-;3-Pinanol, stereoisomer;Isopinocampheol;NSC 167499;rac-Isopinocampheol;
PSA 20.23000
LogP 2.04940

Bicyclo[3.1.1]heptan-3-ol,2,6,6-trimethyl-, (1R,2R,3R,5S)-rel- Specification

The CAS register number of Bicyclo[3.1.1]heptan-3-ol,2,6,6-trimethyl-, (1R,2R,3R,5S)-rel- is 27779-29-9. It also can be called as 3-Pinanol, stereoisomer and the IUPAC name about this chemical is 4,6,6-trimethylbicyclo[3.1.1]heptan-3-ol. The molecular formula about this chemical is C₁₀H₁₈O and the molecular weight is 154.25. If you want to store it, you should keep the container tightly sealed in dry, cool places. If you store and use this chemical according the rule, it will not be decomposed.

Physical properties about Bicyclo[3.1.1]heptan-3-ol,2,6,6-trimethyl-, (1R,2R,3R,5S)-rel- are: (1)ACD/LogP: 2.72; (2)ACD/LogD (pH 5.5): 2.72; (3)ACD/LogD (pH 7.4): 2.72; (4)ACD/BCF (pH 5.5): 68.69 ; (5)ACD/BCF (pH 7.4): 68.69; (6)ACD/KOC (pH 5.5): 718.57; (7)ACD/KOC (pH 7.4): 718.57; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 20.23 Å²; (12)Index of Refraction: 1.484; (13)Molar Refractivity: 45.95 cm³; (14)Molar Volume: 160.6 cm³; (15)Polarizability: 18.21x10^-24cm³; (16)Surface Tension: 30.7 dyne/cm; (17)Density: 0.96 g/cm³; (18)Flash Point: 84.4 °C; (19)Enthalpy of Vaporization: 52.72 kJ/mol; (20)Boiling Point: 217 °C at 760 mmHg; (21)Vapour Pressure: 0.0292 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC2(C)[C@@H]1C[C@H]2[C@H](C)[C@@H](O)C1
(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
(3)InChIKey: REPVLJRCJUVQFA-KZVJFYERBQ
(4)Std. InChI: InChI=1S/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
(5)Std. InChIKey: REPVLJRCJUVQFA-KZVJFYERSA-N

Product Name

(+)-ISOPINOCAMPHEOL

Bicyclo[3.1.1]heptan-3-ol,2,6,6-trimethyl-, (1R,2R,3R,5S)-rel- Specification

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