5-(2,2,3-Trimethyl-3-cyclopentenyl)-3-methyl-pentan-2-ol supplier

Name
5-(2,2,3-Trimethyl-3-cyclopentenyl)-3-methyl-pentan-2-ol
EINECS 265-453-0
CAS No. 65113-99-7
Density 0.875 g/cm³
Solubility
Melting Point >100 ºC
Formula C₁₄H₂₆O
Boiling Point 275.8 °C at 760 mmHg
Molecular Weight 210.36
Flash Point 94.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Methyl-5-(2,2,3-trimethyl-3-cyclopentenyl)pentan-2-ol;3-Methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-ol;Sandalore;5-(2,2,3-Trimethyl-3-cyclopentenyl)-3-methyl-pentan-2-ol;alpha,beta,2,2,3-Pentamethylcyclopent-3-ene-1-butanol;
PSA 20.23000
LogP 3.77590

5-(2,2,3-Trimethyl-3-cyclopentenyl)-3-methyl-pentan-2-ol Specification

The IUPAC name of 5-(2,2,3-Trimethyl-3-cyclopentenyl)-3-methyl-pentan-2-ol is 3-Methyl-5-(2,2,3-trimethylcyclopent-3-en-1-yl)pentan-2-ol. With the CAS registry number 65113-99-7, it is also named as alpha,beta,2,2,3-Pentamethylcyclopent-3-ene-1-butanol. The product's other registry number is 234439-27-1. In addition, its molecular formula is C₁₄H₂₆O and its molecular weight is 210.36.

The other characteristics of 5-(2,2,3-Trimethyl-3-cyclopentenyl)-3-methyl-pentan-2-ol can be summarized as: (1)EINECS: 265-453-0; (2)ACD/LogP: 4.73; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 4.73; (5)ACD/LogD (pH 7.4): 4.73; (6)ACD/BCF (pH 5.5): 2312.11; (7)ACD/BCF (pH 7.4): 2312.11; (8)ACD/KOC (pH 5.5): 8903.36; (9)ACD/KOC (pH 7.4): 8903.36; (10)H bond acceptors: 1; (11)H bond donors: 1; (12)Freely Rotating Bonds: 5; (13)Polar Surface Area: 9.23 Å²; (14)Index of Refraction: 1.461; (15)Molar Refractivity: 65.99 cm³; (16)Molar Volume: 240.2 cm³; (17)Polarizability: 26.16×10^-24cm³; (18)Surface Tension: 27.9 dyne/cm; (19)Density: 0.875 g/cm³; (20)Flash Point: 94.9 °C; (21)Enthalpy of Vaporization: 59.7 kJ/mol; (22)Boiling Point: 275.8 °C at 760 mmHg; (23)Vapour Pressure: 0.000625 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:OC(C(CCC1C(/C(=C\C1)C)(C)C)C)C
(2)InChI:InChI=1/C14H26O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h7,10,12-13,15H,6,8-9H2,1-5H3
(3)InChIKey:NGYMOTOXXHCHOC-UHFFFAOYAJ
(4)Std. InChI:InChI=1S/C14H26O/c1-10(12(3)15)6-8-13-9-7-11(2)14(13,4)5/h7,10,12-13,15H,6,8-9H2,1-5H3
(5)Std. InChIKey:NGYMOTOXXHCHOC-UHFFFAOYSA-N

Product Name

5-(2,2,3-Trimethyl-3-cyclopentenyl)-3-methyl-pentan-2-ol

5-(2,2,3-Trimethyl-3-cyclopentenyl)-3-methyl-pentan-2-ol Specification

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