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1901-38-8

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Basic Information
CAS No.: 1901-38-8
Name: 2,2,3-Trimethylcyclopent-3-ene-1-ethanol
Article Data: 12
Molecular Structure:
Molecular Structure of 1901-38-8 (2,2,3-Trimethylcyclopent-3-ene-1-ethanol)
Formula: C10H18O
Molecular Weight: 154.252
Synonyms: Naturanol;Trimenol;a-Campholenol;
EINECS: 217-600-5
Density: 0.889 g/cm3
Boiling Point: 209.337 °C at 760 mmHg
Flash Point: 78.13 °C
PSA: 20.23000
LogP: 2.36120
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Specification

The CAS register number of 2,2,3-Trimethylcyclopent-3-ene-1-ethanol is 1901-38-8. It also can be called as 3-Cyclopentene-1-ethanol, 2,2,3-trimethyl- and the IUPAC name about this chemical is 2-(2,2,3-trimethylcyclopent-3-en-1-yl)ethanol. The molecular formula about this chemical is C10H18O and the molecular weight is 154.25.

Physical properties about 2,2,3-Trimethylcyclopent-3-ene-1-ethanol are: (1)ACD/LogP: 2.90; (2)ACD/LogD (pH 5.5): 2.896; (3)ACD/LogD (pH 7.4): 2.896; (4)ACD/BCF (pH 5.5): 93.459; (5)ACD/BCF (pH 7.4): 93.459; (6)ACD/KOC (pH 5.5): 895.741; (7)ACD/KOC (pH 7.4): 895.741; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 20.23Å2; (12)Index of Refraction: 1.46; (13)Molar Refractivity: 47.549 cm3; (14)Molar Volume: 173.486 cm3; (15)Polarizability: 18.85x10-24cm3; (16)Surface Tension: 27.173 dyne/cm; (17)Enthalpy of Vaporization: 51.833 kJ/mol; (18)Boiling Point: 209.337 °C at 760 mmHg; (19)Vapour Pressure: 0.047 mmHg at 25°C.

Preparation: this chemical can be prepared by (+-)-(2,2,3-trimethyl-cyclopent-3-enyl)-acetic acid ethyl ester. This reaction will need reagent LiAlH4 and solvent diethyl ether. The yield is about 98.8%.

Uses of 2,2,3-Trimethylcyclopent-3-ene-1-ethanol: it can be used to produce (2,2,3-trimethyl-cyclopent-3-enyl)-acetaldehyde. This reaction will need reagent pyridinium chlorochromate, sodium acetate and solvent CH2Cl2 with reaction time of 2 hours. The yield is about 74%.

You can still convert the following datas into molecular structure:
(1)SMILES: CC1=CCC(C1(C)C)CCO
(2)InChI: InChI=1/C10H18O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,9,11H,5-7H2,1-3H3
(3)InChIKey: NPGPPCSBEMHHCR-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C10H18O/c1-8-4-5-9(6-7-11)10(8,2)3/h4,9,11H,5-7H2,1-3H3
(5)Std. InChIKey: NPGPPCSBEMHHCR-UHFFFAOYSA-N