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Name |
Bicyclo[3.1.1]heptan-3-ol,2,6,6-trimethyl-, (1R,2R,3R,5S)-rel- |
EINECS | 248-657-4 |
CAS No. | 27779-29-9 | Density | 0.96 g/cm3 |
PSA | 20.23000 | LogP | 2.04940 |
Solubility | N/A | 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 | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Bicyclo[3.1.1]heptan-3-ol,2,6,6-trimethyl-, (1a,2b,3a,5a)-;3-Pinanol, stereoisomer;Isopinocampheol;NSC 167499;rac-Isopinocampheol; |
Article Data | 41 |
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