Benzenemethanol,4-(acetyloxy)- supplier

Name
4-(Hydroxymethyl)phenyl acetate
EINECS
CAS No. 6309-46-2
Article Data43
CAS DataBase
Density 1.179 g/cm³
Solubility
Melting Point 37-42℃
Formula C₉H₁₀O₃
Boiling Point 289.7 °C at 760 mmHg
Molecular Weight 166.177
Flash Point 126.1 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 43
Molecular Structure
Hazard Symbols Xi
Synonyms [4-(hydroxymethyl)phenyl] acetate;p-Acetoxybenzyl alcohol;
PSA 46.53000
LogP 1.10420

Benzenemethanol,4-(acetyloxy)- Specification

The Benzenemethanol, 4-(acetyloxy)-, with the CAS registry number 6309-46-2, is also known as 4-Acetoxybenzyl alcohol. This chemical's molecular formula is C₉H₁₀O₃ and molecular weight is 166.1739. What's more, its IUPAC name is [4-(Hydroxymethyl)phenyl] acetate.

Physical properties about Benzenemethanol, 4-(acetyloxy)- are: (1)ACD/LogP: 0.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.37; (4)ACD/LogD (pH 7.4): 0.37; (5)ACD/BCF (pH 5.5): 1.13; (6)ACD/BCF (pH 7.4): 1.13; (7)ACD/KOC (pH 5.5): 37.94; (8)ACD/KOC (pH 7.4): 37.94; (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: 1.537; (14)Molar Refractivity: 44.04 cm³; (15)Molar Volume: 140.8 cm³; (16)Polarizability: 17.46×10^-24 cm³; (17)Surface Tension: 43.7 dyne/cm; (18)Density: 1.179 g/cm³; (19)Flash Point: 126.1 °C; (20)Enthalpy of Vaporization: 55.87 kJ/mol; (21)Boiling Point: 289.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000997 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(Oc1ccc(cc1)CO)C
(2) InChI: InChI=1/C9H10O3/c1-7(11)12-9-4-2-8(6-10)3-5-9/h2-5,10H,6H2,1H3
(3) InChIKey: FKMVNGWJGSSDCF-UHFFFAOYAX

Product Name

4-(Hydroxymethyl)phenyl acetate

Benzenemethanol,4-(acetyloxy)- Specification

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