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| CAS No.: | 5653-67-8 |
|---|---|
| Name: | 2,3-Dimethoxybenzyl alcohol |
| Article Data: | 36 |
| Molecular Structure: | |
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| Formula: | C9H12O3 |
| Molecular Weight: | 168.192 |
| Synonyms: | o-Veratrylalcohol (6CI,7CI,8CI);(2,3-Dimethoxyphenyl)methanol;2,3-Dimethoxybenzenemethanol;2,3-Dimethoxybenzyl alcohol;2,3-Dimethoxybenzylicalcohol;NSC 403220;NSC 87568; |
| EINECS: | 227-099-5 |
| Density: | 1.111 g/cm3 |
| Melting Point: | 48-51 °C |
| Boiling Point: | 257.5 °C at 760 mmHg |
| Flash Point: | 113.6 °C |
| Appearance: | Off-white powder. |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 24/25-36/37-26 |
| PSA: | 38.69000 |
| LogP: | 1.19610 |
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Specification
The 2,3-Dimethoxybenzyl alcohol, with the CAS registry number 5653-67-8 and EINECS registry number 227-099-5, has the systematic name of (2,3-dimethoxyphenyl)methanol. It is a kind of white to light beige crystalline solid, and belongs to the following product categories: Benzhydrols, Benzyl & Special Alcohols; Alcohols; C9 to C30; Oxygen Compounds. The molecular formula of the chemical is C9H12O3.
The characteristics of this chemical are as followings: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.77; (4)ACD/LogD (pH 7.4): 0.77; (5)ACD/BCF (pH 5.5): 2.27; (6)ACD/BCF (pH 7.4): 2.27; (7)ACD/KOC (pH 5.5): 62.63; (8)ACD/KOC (pH 7.4): 62.63; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 27.69 Å2; (13)Index of Refraction: 1.521; (14)Molar Refractivity: 46.06 cm3; (15)Molar Volume: 151.2 cm3; (16)Polarizability: 18.26×10-24cm3; (17)Surface Tension: 37.4 dyne/cm; (18)Density: 1.111 g/cm3; (19)Flash Point: 113.6 °C; (20)Enthalpy of Vaporization: 52.31 kJ/mol; (21)Boiling Point: 257.5 °C at 760 mmHg; (22)Vapour Pressure: 0.00743 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin, and is toxic in contact with skin and if swallowed. Therefore, you had better take the following instructions: Wear suitable protective clothing and gloves, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O(c1c(cccc1OC)CO)C
(2)InChI: InChI=1/C9H12O3/c1-11-8-5-3-4-7(6-10)9(8)12-2/h3-5,10H,6H2,1-2H3
(3)InChIKey: CRLBBOBKCLYCJK-UHFFFAOYAK