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| CAS No.: | 27129-87-9 |
|---|---|
| Name: | 3,5-DIMETHYLBENZYL ALCOHOL |
| Molecular Structure: | |
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| Formula: | C9H12O |
| Molecular Weight: | 136.194 |
| Synonyms: | Benzylalcohol, 3,5-dimethyl- (7CI,8CI);(3,5-Dimethylphenyl)methanol;3,5-Dimethylbenzyl alcohol; |
| EINECS: | 248-241-2 |
| Density: | 1.002 g/cm3 |
| Melting Point: | 218-221 °C(lit.) |
| Boiling Point: | 219.5 °C at 760 mmHg |
| Flash Point: | 106.7 °C |
| Safety: | 24/25 |
| PSA: | 20.23000 |
| LogP: | 1.79570 |
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Specification
The Benzenemethanol,3,5-dimethyl- is an organic compound with the formula C9H12O. The IUPAC name of this chemical is (3,5-dimethylphenyl)methanol. With the CAS registry number 27129-87-9, it is also named as (3,5-dimethylphenyl)methan-1-ol. The product's categories are Benzhydrols, Benzyl & Special Alcohols; Alcohols; C9 to C30; Oxygen Compounds. Besides, it should be stored in a closed cool and dry place.
Physical properties about Benzenemethanol,3,5-dimethyl- are: (1)ACD/LogP: 1.96; (2)ACD/LogD (pH 5.5): 1.95; (3)ACD/LogD (pH 7.4): 1.95; (4)ACD/BCF (pH 5.5): 18.01; (5)ACD/BCF (pH 7.4): 18.01; (6)ACD/KOC (pH 5.5): 275.66; (7)ACD/KOC (pH 7.4): 275.66; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 9.23 Å2; (12)Index of Refraction: 1.536; (13)Molar Refractivity: 42.35 cm3; (14)Molar Volume: 135.8 cm3; (15)Polarizability: 16.79×10-24cm3; (16)Surface Tension: 37.5 dyne/cm; (17)Density: 1.002 g/cm3; (18)Flash Point: 106.7 °C; (19)Enthalpy of Vaporization: 48.19 kJ/mol; (20)Boiling Point: 219.5 °C at 760 mmHg; (21)Vapour Pressure: 0.0689 mmHg at 25°C.
Preparation: this chemical can be prepared by 3,5-dimethyl-benzoic acid methyl ester. This reaction will need reagent LiAlH4 and solvent diethyl ether. The reaction time is 3 hours. The yield is about 98.5%.
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Uses of Benzenemethanol,3,5-dimethyl-: it can be used to produce 3,5-dimethyl-benzyl chloride. It will need reagent SOCl2.
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You can still convert the following datas into molecular structure:
(1)SMILES: OCc1cc(cc(c1)C)C
(2)InChI: InChI=1/C9H12O/c1-7-3-8(2)5-9(4-7)6-10/h3-5,10H,6H2,1-2H3
(3)InChIKey: IQWWTJDRVBWBEL-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C9H12O/c1-7-3-8(2)5-9(4-7)6-10/h3-5,10H,6H2,1-2H3
(5)Std. InChIKey: IQWWTJDRVBWBEL-UHFFFAOYSA-N