1,2,4-Benzenetriol,5-methyl-, 1,2,4-triacetate supplier

Name
(2,5-diacetyloxy-4-methyl-phenyl) acetate
EINECS
CAS No. 5462-27-1
Article Data5
CAS DataBase
Density 1.218 g/cm³
Solubility
Melting Point
Formula C₁₃H₁₄O₆
Boiling Point 359.6 °C at 760 mmHg
Molecular Weight 266.251
Flash Point 157.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,2,4-Benzenetriol,5-methyl-, triacetate (9CI);Toluene-2,4,5-triol, triacetate (6CI,7CI,8CI);2-Methyl-1,4,5-triacetoxybenzene;5-Methyl-1,2,4-benzenetriyl triacetate;NSC17166;
PSA 78.90000
LogP 1.77090

1,2,4-Benzenetriol,5-methyl-, 1,2,4-triacetate Specification

This chemical is called 1,2,4-Benzenetriol,5-methyl-, 1,2,4-triacetate, and it's also named as Toluene-2,4,5-triol, triacetate. With the molecular formula of C₁₃H₁₄O₆, its molecular weight is 266.2467. The CAS registry number of this chemical is 5462-27-1.

Other characteristics of the can be summarised as followings: (1)ACD/LogP: 0.42; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.42; (4)ACD/LogD (pH 7.4): 0.42; (5)ACD/BCF (pH 5.5): 1.24; (6)ACD/BCF (pH 7.4): 1.24; (7)ACD/KOC (pH 5.5): 40.48; (8)ACD/KOC (pH 7.4): 40.48; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 78.9 Å²; (13)Index of Refraction: 1.507; (14)Molar Refractivity: 65.1 cm³; (15)Molar Volume: 218.5 cm³; (16)Polarizability: 25.8×10^-24cm³; (17)Surface Tension: 39.9 dyne/cm; (18)Density: 1.218 g/cm³; (19)Flash Point: 157.8 °C; (20)Enthalpy of Vaporization: 60.53 kJ/mol; (21)Boiling Point: 359.6 °C at 760 mmHg; (22)Vapour Pressure: 2.34E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(Oc1cc(OC(=O)C)c(cc1OC(=O)C)C)C
2.InChI: InChI=1/C13H14O6/c1-7-5-12(18-9(3)15)13(19-10(4)16)6-11(7)17-8(2)14/h5-6H,1-4H3
3.InChIKey: QISCBMGXIGQAFS-UHFFFAOYAE

Product Name

(2,5-diacetyloxy-4-methyl-phenyl) acetate

1,2,4-Benzenetriol,5-methyl-, 1,2,4-triacetate Specification

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