Basic information
- Name:
Bicyclo[3.1.1]heptan-3-one,2-hydroxy-2,6,6-trimethyl-, (1R,2R,5R)-
- Superlist Name:
- (1R,2R,5R)-(+)-2-Hydroxy-3-pinanone
- CAS No.:
24047-72-1
- Molecular Structure:
![Molecular Structure of 24047-72-1 (Bicyclo[3.1.1]heptan-3-one,2-hydroxy-2,6,6-trimethyl-, (1R,2R,5R)-)](http://www.lookchem.com/300w/2010/0630/24047-72-1.jpg)
- Formula:
- C10H16O2
- Molecular Weight:
- 168.23
- Synonyms:
- 3-Pinanone,2-hydroxy-, (1R,2R,5R)-(+)- (8CI);Bicyclo[3.1.1]heptan-3-one,2-hydroxy-2,6,6-trimethyl-, [1R-(1a,2a,5a)]-;(+)-2-Hydroxy-3-pinanone;(+)-2-Hydroxypinocamphone;(+)-2a-Hydroxy-10b-pinan-3-one;(+)-2a-Hydroxy-3-pinanone;(1R,2R,5R)-2-Hydroxy-3-pinanone;(R,R,R)-2-Hydroxy-3-pinanone;2a-Hydroxy-10b-pinan-3-one;
- Density:
- 1.082 g/cm3
- Melting Point:
- 37-39 °C(lit.)
- Boiling Point:
- 244.999 °C at 760 mmHg
- Flash Point:
- 104.457 °C
- Appearance:
- White crystalline solid
- Safety Description:
- 22-24/25 Details
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Specification
The (1R,2R,5R)-(+)-2-Hydroxy-3-pinanone with cas registry number of 24047-72-1, belongs to the following product categories: (1)API intermediates; (2)Chiral Reagents; (3)Asymmetric Synthesis; (4)Bicyclic Monoterpenes; (5)Biochemistry; (6)Synthetic Organic Chemistry; (7)Terpenes. It has the systematic name of (1R,2R,5R)-2-hydroxy-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one.
Physical properties about this chemical are: (1)ACD/LogP: 0.82; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.82; (4)ACD/LogD (pH 7.4): 0.82; (5)ACD/BCF (pH 5.5): 2.48; (6)ACD/BCF (pH 7.4): 2.48; (7)ACD/KOC (pH 5.5): 66.74; (8)ACD/KOC (pH 7.4): 66.74; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.503; (14)Molar Refractivity: 45.99 cm3; (15)Molar Volume: 155.5 cm3; (16)Polarizability: 18.23×10-24cm3; (17)Surface Tension: 36.4 dyne/cm; (18)Enthalpy of Vaporization: 56.02 kJ/mol; (19)Vapour Pressure: 0.00491 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
When use it, avoid contact with skin and eyes and do not breathe dust.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C1[C@](O)([C@@H]2C[C@H](C1)C2(C)C)C;
(2)InChI: InChI=1/C10H16O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-7,12H,4-5H2,1-3H3/t6-,7-,10-/m1/s1;
(3)InChIKey: VZRRCQOUNSHSGB-BRDIYROLBS;
(4)Std. InChI: InChI=1S/C10H16O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-7,12H,4-5H2,1-3H3/t6-,7-,10-/m1/s1;
(5)Std. InChIKey: VZRRCQOUNSHSGB-BRDIYROLSA-N
