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| CAS No.: | 60907-90-6 |
|---|---|
| Name: | Benzenemethanol, -alpha-,2,3-trimethyl- (9CI) |
| Molecular Structure: | |
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| Formula: | C10H14O |
| Molecular Weight: | 150.221 |
| Synonyms: | 1-(2,3-Dimethylphenyl)ethanol; |
| Density: | 0.981 g/cm3 |
| Boiling Point: | 225.8 °C at 760 mmHg |
| Flash Point: | 100 °C |
| PSA: | 20.23000 |
| LogP: | 2.35670 |
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- Total:29 Page 1 of 1 1
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Specification
This chemical is called Benzenemethanol, α,2,3-trimethyl-, and its systematic name is 1-(2,3-dimethylphenyl)ethanol. With the molecular formula of C10H14O, its molecular weight is 150.22. The CAS registry number of this chemical is 60907-90-6. Additionally, its product category is Phenyl.
Other characteristics of the Benzenemethanol, α,2,3-trimethyl- can be summarised as followings: (1)ACD/LogP: 2.30; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.3; (4)ACD/LogD (pH 7.4): 2.3; (5)ACD/BCF (pH 5.5): 33.08; (6)ACD/BCF (pH 7.4): 33.08; (7)ACD/KOC (pH 5.5): 425.95; (8)ACD/KOC (pH 7.4): 425.95; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.526; (14)Molar Refractivity: 46.98 cm3; (15)Molar Volume: 153 cm3; (16)Polarizability: 18.62×10-24cm3; (17)Surface Tension: 35.8 dyne/cm; (18)Density: 0.981 g/cm3; (19)Flash Point: 100 °C; (20)Enthalpy of Vaporization: 48.87 kJ/mol; (21)Boiling Point: 225.8 °C at 760 mmHg; (22)Vapour Pressure: 0.048 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: OC(c1cccc(c1C)C)C
2.InChI: InChI=1/C10H14O/c1-7-5-4-6-10(8(7)2)9(3)11/h4-6,9,11H,1-3H3
3.InChIKey: WJDKWRSEFKVTIE-UHFFFAOYAX