Sobrerol supplier | CasNO.498-71-5

Name
SOBREROL
EINECS 207-868-1
CAS No. 498-71-5
Article Data34
CAS DataBase
Density 1.051g/cm³
Solubility 32g/L(15 oC)
Melting Point 130°C
Formula C₁₀H₁₈O₂
Boiling Point 270.5°Cat760mmHg
Molecular Weight 170.252
Flash Point 120.9°C
Transport Information
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Molecular Structure
Hazard Symbols
Synonyms 5-Hydroxy-alpha,alpha,4-trimethylcyclohex-3-ene-1-methanol;6,8-Carvomenthenediol;3-Cyclohexene-1-methanol,5-hydroxy-R,R,4- trimethyl-;Pinol hydrate;Soberol;5-(2-hydroxypropan-2-yl)-2-methyl-cyclohex-2-en-1-ol;Sobrerol;
PSA 29.46000
LogP 2.12920

Sobrerol Specification

The Sobrerol, with the CAS registry number 135661-44-8.It belongs to the product Medicine and biological chemistry.Its EINECS number is 207-868-1. This chemical's molecular formula is C₁₀H₁₈O₂ and molecular weight is 170.24. What's more, Its systematic name is (1S,5R)-5-(2-Hydroxy-2-propanyl)-2-methyl-2-cyclohexen-1-ol.

Physical properties about Sobrerol are: (1)ACD/LogP: 1.04; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.04; (4)ACD/LogD (pH 7.4): 1.04; (5)ACD/BCF (pH 5.5): 3.64; (6)ACD/BCF (pH 7.4): 3.64; (7)ACD/KOC (pH 5.5): 87.67; (8)ACD/KOC (pH 7.4): 87.67; (9)#H bond acceptors: 2; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.513; (13)Molar Refractivity: 48.666 cm³; (14)Molar Volume: 161.964 cm³; (15)Surface Tension: 41.4930000305176 dyne/cm; (16)Density: 1.051 g/cm³; (17)Flash Point: 120.885 °C; (18)Enthalpy of Vaporization: 59.062 kJ/mol; (19)Boiling Point: 270.499 °C at 760 mmHg; (20)Vapour Pressure: 0.00100000004749745 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES:O[C@@H]1C(=C/C[C@@H](C(O)(C)C)C1)\C;
(2)Std. InChI:InChI=1S/C10H18O2/c1-7-4-5-8(6-9(7)11)10(2,3)12/h4,8-9,11-12H,5-6H2,1-3H3/t8-,9+/m1/s1;
(3)Std. InChIKey:OMDMTHRBGUBUCO-BDAKNGLRSA-N ;

Product Name

SOBREROL

Sobrerol Specification

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