2-Methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-ol supplier

Name
SANDALMYSORE CORE
EINECS 248-907-2
CAS No. 28219-60-5
Article Data8
CAS DataBase
Density 0.897 g/cm³
Solubility Soluble in organic solvents, insoluble in water.
Melting Point
Formula C₁₃H₂₂O
Boiling Point 269.5 °C at 760 mmHg
Molecular Weight 194.317
Flash Point 98.9 °C
Transport Information
Appearance Clear colourless to slightly yellowish liquid.
Safety
Risk Codes
Molecular Structure
Hazard Symbols
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;
PSA 20.23000
LogP 3.30750

2-Methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-ol 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:
(1)SMILES: OC/C(=C/CC1C(/C(=C\C1)C)(C)C)C
(2)InChI: InChI=1/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+
(3)InChIKey: MTVBNJVZZAQKRV-BJMVGYQFBU

Product Name

SANDALMYSORE CORE

2-Methyl-4-(2,2,3-trimethyl-3-cyclopenten-1-yl)-2-buten-1-ol Specification

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