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| CAS No.: | 33524-31-1 |
|---|---|
| Name: | 2,5-DIMETHOXYBENZYL ALCOHOL |
| Article Data: | 43 |
| Molecular Structure: | |
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|
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| Formula: | C9H12O3 |
| Molecular Weight: | 168.192 |
| Synonyms: | 2,5-Dimethoxybenzenemethanol;Benzylalcohol, 2,5-dimethoxy- (7CI,8CI);(2,5-Dimethoxyphenyl)methanol;1-(Hydroxymethyl)-2,5-dimethoxybenzene; |
| EINECS: | 251-562-0 |
| Density: | 1.112 g/cm3 |
| Melting Point: | 45-48 °C |
| Boiling Point: | 305.6 °C at 760 mmHg |
| Flash Point: | 127.719 °C |
| Appearance: | clear colorless to light yellow viscous liquid |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 23-24/25-36/37-26 |
| PSA: | 38.69000 |
| LogP: | 1.19610 |
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Specification
The 2,5-Dimethoxybenzyl alcohol, with the cas registry number 33524-31-1, has the systematic name of (2,5-dimethoxyphenyl)methanol. And its product categories are various, including 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: 0.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.92; (4)ACD/LogD (pH 7.4): 0.92; (5)ACD/BCF (pH 5.5): 2.92; (6)ACD/BCF (pH 7.4): 2.92; (7)ACD/KOC (pH 5.5): 74.98; (8)ACD/KOC (pH 7.4): 74.98; (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: 127.7 °C; (20)Enthalpy of Vaporization: 57.66 kJ/mol; (21)Boiling Point: 305.6 °C at 760 mmHg; (22)Vapour Pressure: 0.000354 mmHg at 25°C.
You should be cautious while dealing with this chemical. It irritates to eyes, respiratory system and skin. Therefore, you had better take the following instructions: (1)Do not breathe gas/fumes/vapor/spray (appropriate wording to be specified by the manufacturer); (2)Avoid contact with skin and eyes; (3)Wear suitable protective clothing and gloves; (4)In case of contact 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(c1ccc(OC)cc1CO)C
(2)InChI: InChI=1/C9H12O3/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-5,10H,6H2,1-2H3
(3)InChIKey: WGQMUABRZGUAOS-UHFFFAOYAM