CAS No.22422-34-0,(1R,2R,3S,5R)-(-)-2,3-Pinanediol Suppliers

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Basic Information

Molecular Structure:
CAS No.:	22422-34-0
Name:	(1R,2R,3S,5R)-(-)-2,3-Pinanediol
Article Data:	25

Formula:	C₁₀H₁₈O₂
Molecular Weight:	170.252
Synonyms:	2,3-Pinanediol,(1R,2R,3S,5R)- (8CI);Bicyclo[3.1.1]heptane-2,3-diol, 2,6,6-trimethyl-, [1R-(1a,2a,3a,5a)]-;(-)-(1R:2R:3S:5R)-cis-a-Pineneglycol;(-)-2,3-Pinanediol;(-)-cis-Pinane-cis-2,3-diol;(1R,2R,3S,5R)-(-)-Pinanediol;cis-a-Pinene glycol;
Density:	1.091 g/cm³
Melting Point:	57-59 °C(lit.)
Boiling Point:	263.738 °C at 760 mmHg
Flash Point:	120.838 °C
Appearance:	white crystalline solid
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	22-24/25-36-26
PSA:	40.46000
LogP:	1.16430

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Specification

The CAS register number of (1R,2R,3S,5R)-(-)-2,3-Pinanediol is 22422-34-0. It also can be called as (1R-(1alpha,2beta,3beta,5alpha))-2,6,6-Trimethylbicyclo[3.3.1]heptane-2,3-diol and the systematic name about this chemical is (1R,2R,3S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptane-2,3-diol. The molecular formula about this chemical is C₁₀H₁₈O₂and molecular weight is 170.25.

Physical properties about (1R,2R,3S,5R)-(-)-2,3-Pinanediol are: (1)ACD/LogP: 1.58; (2)ACD/LogD (pH 5.5): 1.58; (3)ACD/LogD (pH 7.4): 1.58; (4)ACD/BCF (pH 5.5): 9.38; (5)ACD/BCF (pH 7.4): 9.38; (6)ACD/KOC (pH 5.5): 172.75; (7)ACD/KOC (pH 7.4): 172.75; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 18.46Å²; (12)Index of Refraction: 1.52; (13)Molar Refractivity: 47.45 cm³; (14)Molar Volume: 156 cm³; (15)Polarizability: 18.81x10^-24cm³; (16)Surface Tension: 38.7 dyne/cm; (17)Enthalpy of Vaporization: 58.25 kJ/mol; (18)Boiling Point: 263.7 °C at 760 mmHg; (19)Vapour Pressure: 0.00142 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, you also need do not breathe dust and avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O[C@H]1C[C@H]2C[C@@H]([C@]1(O)C)C2(C)C
(2)InChI: InChI=1/C10H18O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-8,11-12H,4-5H2,1-3H3/t6-,7-,8+,10-/m1/s1
(3)InChIKey: MOILFCKRQFQVFS-BDNRQGISBA
(4)Std. InChI: InChI=1S/C10H18O2/c1-9(2)6-4-7(9)10(3,12)8(11)5-6/h6-8,11-12H,4-5H2,1-3H3/t6-,7-,8+,10-/m1/s1
(5)Std. InChIKey: MOILFCKRQFQVFS-BDNRQGISSA-N