1,4-Benzenediol,2-methyl-, 1,4-diacetate supplier

Name
2,5-DIACETOXYTOLUENE
EINECS
CAS No. 717-27-1
Article Data9
CAS DataBase
Density 1.15 g/cm³
Solubility
Melting Point 41-45 °C(lit.)
Formula C₁₁H₁₂O₄
Boiling Point 289.7 °C at 760 mmHg
Molecular Weight 208.214
Flash Point 140.2 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1,4-Benzenediol,2-methyl-, diacetate (9CI);Hydroquinone, methyl-, diacetate (6CI,7CI,8CI);2-Methylhydroquinone diacetate;Methylhydroquinone diacetate;1,4-benzenediol, 2-methyl-, diacetate;2-Methyl-1,4-phenylene diacetate;2-Methylbenzene-1,4-diyl diacetate;2-Methylbenzol-1,4-diyldiacetat;
PSA 52.60000
LogP 1.84560

1,4-Benzenediol,2-methyl-, 1,4-diacetate Specification

The 1,4-Benzenediol,2-methyl-, 1,4-diacetate, with the CAS registry number 717-27-1, has the systematic name of 2-methylbenzene-1,4-diyl diacetate. It belongs to the following product categories: Anisoles, Alkyloxy Compounds & Phenylacetates. And the molecular formula of the chemical is C₁₁H₁₂O₄.

The characteristics of 1,4-Benzenediol,2-methyl-, 1,4-diacetate are as followings: (1)ACD/LogP: 1.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.44; (4)ACD/LogD (pH 7.4): 1.44; (5)ACD/BCF (pH 5.5): 7.3; (6)ACD/BCF (pH 7.4): 7.3; (7)ACD/KOC (pH 5.5): 144.36; (8)ACD/KOC (pH 7.4): 144.36; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 53.75 cm³; (15)Molar Volume: 180.9 cm³; (16)Polarizability: 21.31×10^-24cm³; (17)Surface Tension: 37.5 dyne/cm; (18)Density: 1.15 g/cm³; (19)Flash Point: 140.2 °C; (20)Enthalpy of Vaporization: 52.9 kJ/mol; (21)Boiling Point: 289.7 °C at 760 mmHg; (22)Vapour Pressure: 0.00217 mmHg at 25°C.

Uses of 1,4-Benzenediol,2-methyl-, 1,4-diacetate: It can be used to produce 1-(2,5-dihydroxy-4-methyl-phenyl)-ethanone. This reaction will need reagent AlCl₃. The reaction time is 3.5 hours with temperature of 110-165°C, and the yield is about 52%.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: O=C(Oc1ccc(OC(=O)C)cc1C)C
(2)InChI: InChI=1/C11H12O4/c1-7-6-10(14-8(2)12)4-5-11(7)15-9(3)13/h4-6H,1-3H3
(3)InChIKey: KUZVIVNLNXNLAQ-UHFFFAOYAC

Product Name

2,5-DIACETOXYTOLUENE

1,4-Benzenediol,2-methyl-, 1,4-diacetate Specification

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