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| CAS No.: | 19819-98-8 |
|---|---|
| Name: | 2-METHYLPHENETHYL ALCOHOL |
| Molecular Structure: | |
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| Formula: | C9H12O |
| Molecular Weight: | 136.194 |
| Synonyms: | Phenethylalcohol, o-methyl- (8CI);2-(2-Methylphenyl)ethanol;o-Methylphenethyl alcohol;2-Methylbenzeneethanol;2-Methylphenethyl alcohol;NSC 409882; |
| EINECS: | 243-349-6 |
| Density: | 1.001 g/cm3 |
| Melting Point: | 1°C |
| Boiling Point: | 243.5 °C at 760 mmHg |
| Flash Point: | 108.3 °C |
| Solubility: | 12.339g/L at 24℃ |
| Appearance: | Clear colourless liquid |
| Safety: | 24/25 |
| PSA: | 20.23000 |
| LogP: | 1.52980 |
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Specification
The CAS register number of Benzeneethanol,2-methyl- is 19819-98-8. It also can be called as 2-Methylphenethyl alcohol and the IUPAC name is 2-(2-methylphenyl)ethanol. The molecular formula about this chemical is C9H12O and the molecular weight is 136.19. It belongs to product categories of Benzhydrols, Benzyl & Special Alcohols; Alcohols; C9 to C30; Oxygen Compounds. What's more, this chemical is a clear colourless liquid. During using it, avoid contact with skin and eyes.
Physical properties about Benzeneethanol,2-methyl- are: (1)ACD/LogP: 1.82; (2)ACD/LogD (pH 5.5): 1.82; (3)ACD/LogD (pH 7.4): 1.82; (4)ACD/BCF (pH 5.5): 14.21; (5)ACD/BCF (pH 7.4): 14.21; (6)ACD/KOC (pH 5.5): 232.59; (7)ACD/KOC (pH 7.4): 232.59; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 9.23Å2; (12)Index of Refraction: 1.532; (13)Molar Refractivity: 42.16 cm3; (14)Molar Volume: 136 cm3; (15)Polarizability: 16.71x10-24cm3; (16)Surface Tension: 38.2 dyne/cm; (17)Flash Point: 108.3 °C; (18)Enthalpy of Vaporization: 50.78 kJ/mol; (19)Boiling Point: 243.5 °C at 760 mmHg; (20)Vapour Pressure: 0.0172 mmHg at 25 °C.
Preparation of Benzeneethanol,2-methyl-: it is prepared by reaction of o-tolyl-acetic acid. The reaction needs reagent lithium aluminium hydride and solvent diethyl ether. The yield is about 97 %.
Uses of Benzeneethanol,2-methyl-: it is used to produce 5-methylisochroman by cyclization reaction with formaldehyde. The reaction occurs with reagent concd. HCl and other condition of heating for 2 hours. The yield is about 93 %.
You can still convert the following datas into molecular structure:
1. SMILES: OCCc1ccccc1C
2. InChI: InChI=1/C9H12O/c1-8-4-2-3-5-9(8)6-7-10/h2-5,10H,6-7H2,1H3
3. InChIKey: RUGISKODRCWQNE-UHFFFAOYAF
4. Std. InChI: InChI=1S/C9H12O/c1-8-4-2-3-5-9(8)6-7-10/h2-5,10H,6-7H2,1H3
5. Std. InChIKey: RUGISKODRCWQNE-UHFFFAOYSA-N