Methyl 4-(hydroxymethyl)benzoate supplier

Name
METHYL (4-HYDROXYMETHYL)BENZOATE
EINECS 230-017-0
CAS No. 6908-41-4
Article Data135
CAS DataBase
Density 1.177g/cm³
Solubility
Melting Point 47-50 °C(lit.)
Formula C₉H₁₀O₃
Boiling Point 295.3 °C at 760 mmHg
Molecular Weight 166.177
Flash Point 129.2 °C
Transport Information
Appearance WHITE POWDER OR CRYSTALS
Safety S37/39-26
Risk Codes R36/37/38
Molecular Structure
Hazard Symbols Xi
Synonyms p-Toluicacid, a-hydroxy-, methyl ester(6CI,7CI,8CI);4-(Carbomethoxy)benzyl alcohol;4-(Methoxycarbonyl)benzyl alcohol;4-Hydroxymethylbenzoic acid methyl ester;Methyl 4-(hydroxymethyl)benzoate;Methyl p-(hydroxymethyl)benzoate;p-(Methoxycarbonyl)benzyl alcohol;
PSA 46.53000
LogP 0.96550

Methyl 4-(hydroxymethyl)benzoate Specification

The Methyl 4-(hydroxymethyl)benzoate with cas registry number of 6908-41-4, belongs to the following product categories: (1)Aromatic Esters; (2)C8 to C9; (3)Carbonyl Compounds; (4)Esters. Its systematic name and IUPAC are the same, which is methyl 4-(hydroxymethyl)benzoate.

Physical properties about this chemical are: (1)ACD/LogP: 1.01; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.01; (4)ACD/LogD (pH 7.4): 1.01; (5)ACD/BCF (pH 5.5): 3.46; (6)ACD/BCF (pH 7.4): 3.46; (7)ACD/KOC (pH 5.5): 84.66; (8)ACD/KOC (pH 7.4): 84.66; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.542; (14)Molar Refractivity: 44.47 cm³; (15)Molar Volume: 141.1 cm³; (16)Polarizability: 17.63×10^-24cm³; (17)Surface Tension: 45 dyne/cm; (18)Enthalpy of Vaporization: 56.5 kJ/mol; (19)Vapour Pressure: 0.000697 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Methyl 4-(hydroxymethyl)benzoate 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(cc1)CO;
(2)InChI: InChI=1/C9H10O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5,10H,6H2,1H3;
(3)InChIKey: VBWFYEFYHJRJER-UHFFFAOYAW;
(4)Std. InChI: InChI=1S/C9H10O3/c1-12-9(11)8-4-2-7(6-10)3-5-8/h2-5,10H,6H2,1H3;
(5)Std. InChIKey: VBWFYEFYHJRJER-UHFFFAOYSA-N

Product Name

METHYL (4-HYDROXYMETHYL)BENZOATE

Methyl 4-(hydroxymethyl)benzoate Specification

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