Methyl 3-hydroxy-4-methoxybenzoate supplier

Name
Methyl 3-hydroxy-4-methoxybenzoate
EINECS
CAS No. 6702-50-7
Article Data57
CAS DataBase
Density 1.216g/cm³
Solubility
Melting Point 64-67 °C(lit.)
Formula C₉H₁₀O₄
Boiling Point 327.7 °C at 760 mmHg
Molecular Weight 182.176
Flash Point 132.8 °C
Transport Information
Appearance
Safety S26-36
Risk Codes R36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms Isovanillicacid methyl ester (6CI);p-Anisic acid, 3-hydroxy-, methyl ester (7CI,8CI);3-Hydroxy-4-methoxybenzoic acid methyl ester;5-(Carbomethoxy)-2-methoxyphenol;Methyl 3-hydroxy-4-methoxybenzoate;Methyl isovanillate;
PSA 55.76000
LogP 1.18740

Methyl 3-hydroxy-4-methoxybenzoate Specification

The Methyl 3-hydroxy-4-methoxybenzoate with cas registry number of 6702-50-7, belongs to the following product categories: (1)Aromatic Esters; (2)C8 to C9; (3)Carbonyl Compounds; (4)Esters. It has the systematic name of methyl 3-hydroxy-4-methoxybenzoate. And it is also called Benzoic acid, 3-hydroxy-4-methoxy-, methyl ester.

Physical properties about this chemical are: (1)ACD/LogP: 1.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.75; (4)ACD/LogD (pH 7.4): 1.75; (5)ACD/BCF (pH 5.5): 12.66; (6)ACD/BCF (pH 7.4): 12.45; (7)ACD/KOC (pH 5.5): 214.18; (8)ACD/KOC (pH 7.4): 210.52; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.534; (14)Molar Refractivity: 46.58 cm³; (15)Molar Volume: 149.7 cm³; (16)Polarizability: 18.46×10^-24cm³; (17)Surface Tension: 43.1 dyne/cm; (18)Enthalpy of Vaporization: 59.27 kJ/mol; (19)Vapour Pressure: 0.000104 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Methyl 3-hydroxy-4-methoxybenzoate irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)c1ccc(OC)c(O)c1
(2)InChI: InChI=1/C9H10O4/c1-12-8-4-3-6(5-7(8)10)9(11)13-2/h3-5,10H,1-2H3
(3)InChIKey: QXOXUEFXRSIYSW-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C9H10O4/c1-12-8-4-3-6(5-7(8)10)9(11)13-2/h3-5,10H,1-2H3
(5)Std. InChIKey: QXOXUEFXRSIYSW-UHFFFAOYSA-N

Product Name

Methyl 3-hydroxy-4-methoxybenzoate

Methyl 3-hydroxy-4-methoxybenzoate Specification

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