Benzenemethanol,4-(acetyloxy)-3-methoxy- supplier

Name
3-METHOXY-4-ACETOXY BENZYL ALCOHOL
EINECS
CAS No. 60835-68-9
Article Data10
CAS DataBase
Density 1.189 g/cm³
Solubility
Melting Point
Formula C₁₀H₁₂O₄
Boiling Point 298.3 °C at 760 mmHg
Molecular Weight 196.203
Flash Point 114.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 4-Acetoxy-3-methoxybenzyl alcohol;4-(Hydroxymethyl)-2-methoxyphenyl acetate;3-Methoxy-4-acetoxy benzyl alcohol;
PSA 55.76000
LogP 1.11280

Benzenemethanol,4-(acetyloxy)-3-methoxy- Specification

The Benzenemethanol,4-(acetyloxy)-3-methoxy-, with the CAS registry number 60835-68-9, is also known as 3-Methoxy-4-acetoxy benzyl alcohol. This chemical's molecular formula is C₁₀H₁₂O₄ and molecular weight is 196.20. What's more, its systematic name is 4-(hydroxymethyl)-2-methoxyphenyl acetate.

Physical properties of Benzenemethanol,4-(acetyloxy)-3-methoxy- are: (1)ACD/LogP: 0.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.2; (4)ACD/LogD (pH 7.4): 0.2; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 30.46; (8)ACD/KOC (pH 7.4): 30.46; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 44.76 Å²; (13)Index of Refraction: 1.527; (14)Molar Refractivity: 50.72 cm³; (15)Molar Volume: 164.8 cm³; (16)Polarizability: 20.1×10^-24cm³; (17)Surface Tension: 41.7 dyne/cm; (18)Density: 1.189 g/cm³; (19)Flash Point: 114.3 °C; (20)Enthalpy of Vaporization: 56.83 kJ/mol; (21)Boiling Point: 298.3 °C at 760 mmHg; (22)Vapour Pressure: 0.000574 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccc(cc1OC)CO)C
(2)InChI: InChI=1S/C10H12O4/c1-7(12)14-9-4-3-8(6-11)5-10(9)13-2/h3-5,11H,6H2,1-2H3
(3)InChIKey: XSLCJVWNAYMBLQ-UHFFFAOYSA-N

Product Name

3-METHOXY-4-ACETOXY BENZYL ALCOHOL

Benzenemethanol,4-(acetyloxy)-3-methoxy- Specification

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