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(-)-Isopinocampheol

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(-)-Isopinocampheol

EINECS 247-011-9
CAS No. 25465-65-0 Density 0.96 g/cm3
Solubility Melting Point 52-55 °C
Formula C10H18O Boiling Point 216.999 °C at 760 mmHg
Molecular Weight 154.25 Flash Point 84.416 °C
Transport Information Appearance
Safety 22-24/25 Risk Codes
Molecular Structure Molecular Structure of 25465-65-0 ((-)-Isopinocampheol) Hazard Symbols
Synonyms

Bicyclo[3.1.1]heptan-3-ol, 2,6,6-trimethyl-, (1a,2b,3b,5a)-;Neoisopinocampheol;neo-Isopinocampheol;(-)-Pinan-3-ol;

 

(-)-Isopinocampheol Specification

The (-)-Isopinocampheol with cas registry number of 25465-65-0 belongs to the product categories of plant oils, toxins, phenolic acids and derivatives. Its EINECS registry number is 247-011-9. This chemical is also known as (1R,2R,3R,5S)-3-Pinanol and (1R,2R,3R,5S)-2,6,6-Trimethylbicyclo[3.1.1]heptan-3-ol. Its IUPAC name and systematic name are the same which is called 4,6,6-Trimethylbicyclo[3.1.1]heptan-3-ol. When you are using this chemical, please be cautious about it: you can not breathe its dust and must avoid contacting it with skin and eyes. The chemical is fine crystals.

Physical properties about this chemical are: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 69; (6)ACD/BCF (pH 7.4): 69; (7)ACD/KOC (pH 5.5): 719; (8)ACD/KOC (pH 7.4): 719; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 20.23 Å2; (13)Index of Refraction: 1.484; (14)Molar Refractivity: 45.954 cm3; (15)Molar Volume: 160.605 cm3; (16)Surface Tension: 30.721 dyne/cm; (17)Density: 0.96 g/cm3; (18)Flash Point: 84.416 °C; (19)Enthalpy of Vaporization: 52.724 kJ/mol; (20)Boiling Point: 216.999 °C at 760 mmHg; (21)Vapour Pressure: 0.029 mmHg at 25°C; (22)Melting Point: 51-53 °C.

You can still convert the following datas into molecular structure:
(1)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-/m1/s1;
(2)InChIKey: REPVLJRCJUVQFA-BZNPZCIMBS;
(3)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-/m1/s1 ;
(4)Std. InChIKey: REPVLJRCJUVQFA-BZNPZCIMSA-N

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