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| CAS No.: | 74395-18-9 |
|---|---|
| Name: | 4-METHYLTHIOPHENE 2-YLMETHANOL |
| Article Data: | 7 |
| Molecular Structure: | |
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| Formula: | C6H8OS |
| Molecular Weight: | 128.195 |
| Synonyms: | 2-(Hydroxymethyl)-4-methylthiophene;(4-methylthiophen-2-yl)methanol;2-(Hydroxymethyl)-4-methylthiophene;4-methylthiophene 2-ylmethanol; |
| Density: | 1.176 g/cm3 |
| Boiling Point: | 218.6 °C at 760 mmHg |
| Flash Point: | 86 °C |
| PSA: | 48.47000 |
| LogP: | 1.54880 |
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- Total:11 Page 1 of 1 1
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Specification
The 2-Thiophenemethanol,4-methyl-, with the CAS registry number 74395-18-9, has the systematic name of (4-methylthiophen-2-yl)methanol. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C6H8OS.
The characteristics of 2-Thiophenemethanol,4-methyl- are as followings: (1)ACD/LogP: 1.17; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.17; (4)ACD/LogD (pH 7.4): 1.17; (5)ACD/BCF (pH 5.5): 4.58; (6)ACD/BCF (pH 7.4): 4.58; (7)ACD/KOC (pH 5.5): 103.5; (8)ACD/KOC (pH 7.4): 103.5; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.47 Å2; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 35.91 cm3; (15)Molar Volume: 109 cm3; (16)Polarizability: 14.23×10-24cm3; (17)Surface Tension: 44.5 dyne/cm; (18)Density: 1.176 g/cm3; (19)Flash Point: 86 °C; (20)Enthalpy of Vaporization: 48.09 kJ/mol; (21)Boiling Point: 218.6 °C at 760 mmHg; (22)Vapour Pressure: 0.0726 mmHg at 25°C.
Preparation of 2-Thiophenemethanol,4-methyl-: This chemical can be prepared by 4-methyl-thiophene-2-carboxylic acid. The reaction will need reagent lithium aluminium hydride, and the menstruum diethyl ether. The reaction time is 5 hours with heating, and the yield is about 86%.
Uses of 2-Thiophenemethanol,4-methyl-: It can be used to produce 4-methyl-pent-3-en-1-ol. This reaction will need reagent Li, and the menstruum various solvent(s). And the yield is about 75%.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OCc1scc(c1)C
(2)InChI: InChI=1/C6H8OS/c1-5-2-6(3-7)8-4-5/h2,4,7H,3H2,1H3
(3)InChIKey: AUQLBQWHCWBCAW-UHFFFAOYAX