| Identification | |
| Name: | 2-Buten-1-ol,2-methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)- |
| Synonyms: | 2-Methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-ol;2-Methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol;Fine sandal core;Sandal Mysore Core;Santalinol; |
| CAS: | 28219-60-5 |
| EINECS: | 248-907-2 |
| Molecular Formula: | C13H22O |
| Molecular Weight: | 194.31318 |
| InChI: | InChI=1S/C13H22O/c1-10(9-14)5-7-12-8-6-11(2)13(12,3)4/h5-6,12,14H,7-9H2,1-4H3/b10-5+ |
| Molecular Structure: |  |
| Properties | |
| Density: | 0.897 g/cm3 |
| Refractive index: | 1.478 |
| Water Solubility: | Soluble in organic solvents, insoluble in water. |
| Solubility: | Soluble in organic solvents, insoluble in water. |
| Appearance: | Clear colourless to slightly yellowish liquid. |
| Specification: |
The 2-Methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-ol, with the CAS registry number 28219-60-5 and EINECS registry number 248-907-2, has the systematic name of (2E)-2-methyl-4-(2,2,3-trimethylcyclopent-3-en-1-yl)but-2-en-1-ol. And the molecular formula of the chemical is C13H22O. The characteristics of 2-Methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-ol are as followings: (1)ACD/LogP: 4.43; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.43; (4)ACD/LogD (pH 7.4): 4.43; (5)ACD/BCF (pH 5.5): 1380.13; (6)ACD/BCF (pH 7.4): 1380.13; (7)ACD/KOC (pH 5.5): 6153.94; (8)ACD/KOC (pH 7.4): 6153.94; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.478; (14)Molar Refractivity: 61.34 cm3; (15)Molar Volume: 216.4 cm3; (16)Polarizability: 24.32×10-24cm3; (17)Surface Tension: 28.5 dyne/cm; (18)Density: 0.897 g/cm3; (19)Flash Point: 98.9 °C; (20)Enthalpy of Vaporization: 58.94 kJ/mol; (21)Boiling Point: 269.5 °C at 760 mmHg; (22)Vapour Pressure: 0.000961 mmHg at 25°C. Addtionally, the following datas could be converted into the molecular structure: |
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