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| CAS No.: | 4383-06-6 |
|---|---|
| Name: | 3-Hydroxy-4-methoxybenzyl alcohol |
| Article Data: | 28 |
| Molecular Structure: | |
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| Formula: | C8H10O3 |
| Molecular Weight: | 154.166 |
| Synonyms: | Benzylalcohol, 3-hydroxy-4-methoxy- (7CI,8CI);3-Hydroxy-4-methoxybenzenemethanol;3-Hydroxy-4-methoxybenzyl alcohol;3-Hydroxymethyl-6-methoxyphenol;5-Hydroxymethyl-2-methoxyphenol;Isovanillyl alcohol;NSC 93802;3-Hydroxy-4-methoxybenzyl alcohol;3-Hydroxy-4-methoxybenzylalcohol; |
| EINECS: | 224-489-7 |
| Density: | 1.226 g/cm3 |
| Melting Point: | 135-137 °C |
| Boiling Point: | 315.8 °C at 760 mmHg |
| Flash Point: | 144.8 °C |
| Appearance: | White crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 22-24/25-36-26 |
| PSA: | 49.69000 |
| LogP: | 0.89310 |
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Specification
The IUPAC name of 3-Hydroxy-4-methoxybenzyl alcohol is 5-(hydroxymethyl)-2-methoxyphenol. With the CAS registry number 4383-06-6, it is also named as Isovanillyl alcohol. The product's category is Benzhydrols, Benzyl & Special Alcohols. Besides, it is white crystalline powder, which should be stored in sealed, dark, ventilated and dry place. In addition, its molecular formula is C8H10O3 and molecular weight is 154.16.
The other characteristics of this product can be summarized as: (1)EINECS: 224-489-7; (2)ACD/LogP: 0.00; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 0; (5)ACD/LogD (pH 7.4): 0; (6)ACD/BCF (pH 5.5): 1; (7)ACD/BCF (pH 7.4): 1; (8)ACD/KOC (pH 5.5): 23.91; (9)ACD/KOC (pH 7.4): 23.82; (10)#H bond acceptors: 3; (11)#H bond donors: 2; (12)#Freely Rotating Bonds: 4; (13)Index of Refraction: 1.57; (14)Molar Refractivity: 41.26 cm3; (15)Molar Volume: 125.6 cm3; (16)Surface Tension: 48.9 dyne/cm; (17)Density: 1.226 g/cm3; (18)Flash Point: 144.8 °C; (19)Melting point 135-137 °C; (20)Enthalpy of Vaporization: 58.82 kJ/mol; (21)Boiling Point: 315.8 °C at 760 mmHg; (22)Vapour Pressure: 0.00018 mmHg at 25 °C.
Preparation of 3-Hydroxy-4-methoxybenzyl alcohol: this chemical can be prepared by 3-Hydroxy-4-methoxy-benzaldehyde.
This reaction needs CdCl2, Mg, H2O and Tetrahydrofuran. The reaction time is 15 min. The yield is 95 %.
Uses of 3-Hydroxy-4-methoxybenzyl alcohol: it can be used to produce 3-Hydroxy-4-methoxy-benzaldehyde.
This reaction needs 2,3-Dichloro-5,6-dicyanobenzoquinone (DDQ) and Dioxane at ambient temperature for 16 hours. The yield is 97 %.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. Moreover, please do not breathe dust. And you should avoid contact with skin and eyes. Additionally, you should wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
(1)SMILES: Oc1cc(ccc1OC)CO
(2)InChI: InChI=1/C8H10O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,9-10H,5H2,1H3
(3)InChIKey: WHKRHBLAJFYZKF-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C8H10O3/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4,9-10H,5H2,1H3
(5)Std. InChIKey: WHKRHBLAJFYZKF-UHFFFAOYSA-N