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2999-40-8

Basic Information
CAS No.: 2999-40-8
Name: 1,3,5-Benzenetriol,1,3,5-triacetate
Molecular Structure:
Molecular Structure of 2999-40-8 (1,3,5-Benzenetriol,1,3,5-triacetate)
Formula: C12H12O6
Molecular Weight: 252.22
Synonyms: 1,3,5-Benzenetriol,triacetate (9CI);Phloroglucinol, triacetate (6CI,7CI);1,3,5-Triacetoxybenzene;1,3,5-Tris(acetyloxy)benzene;NSC 16958;Phloroglucinol triacetate;Benzene-1,3,5-triyl triacetate;(3,5-Diacetyloxyphenyl) ethanoate;Acetic acid (3,5-diacetoxyphenyl) ester;
EINECS:
Density: 1.246 g/cm3
Melting Point: 104-105 ºC
Boiling Point: 348.7 ºC at 760 mmHg
Flash Point: 153.4 ºC
Solubility:
Appearance:
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 78.90000
LogP: 1.46250
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    2999-40-8

    1,3,5-Benzenetriol,1,3,5-triacetate

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  • Phloroglucinol Triacetate

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    Phloroglucinol Triacetate

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  • 2999-40-8 C12H12O6 PHLOROGLUCINOL TRIACETATE

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    2999-40-8

    2999-40-8 C12H12O6 PHLOROGLUCINOL TRIACETATE

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    2999-40-8

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  • 1,3,5-Benzenetriol,1,3,5-triacetate cas  2999-40-8

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    2999-40-8

    1,3,5-Benzenetriol,1,3,5-triacetate cas 2999-40-8

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  • 1,3,5-Benzenetriol,1,3,5-triacetate

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Specification

The 1,3,5-Benzenetriol,1,3,5-triacetate, with the CAS registry number 2999-40-8, is also known as Phloroglucinol triacetate. It belongs to the product category of Aromatic Esters. This chemical's molecular formula is C12H12O6 and molecular weight is 252.22. What's more, its systematic name is Benzene-1,3,5-triyl triacetate. 

Physical properties of 1,3,5-Benzenetriol,1,3,5-triacetate are: (1)ACD/LogP: 0.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.23; (4)ACD/LogD (pH 7.4): 0.23; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 31.63; (8)ACD/KOC (pH 7.4): 31.63; (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: 60.27 cm3; (15)Molar Volume: 202.3 cm3; (16)Polarizability: 23.89×10-24cm3; (17)Surface Tension: 40.9 dyne/cm; (18)Density: 1.246 g/cm3; (19)Flash Point: 153.4 °C; (20)Enthalpy of Vaporization: 59.31 kJ/mol; (21)Boiling Point: 348.7 °C at 760 mmHg; (22)Vapour Pressure: 4.93E-05 mmHg at 25°C.

Preparation: this chemical can be prepared by acetic acid anhydride and benzene-1,3,5-triol at the temperature of 62 °C. This reaction will need solvent CHCl3 with the reaction time of 4.5 hours. This reaction will also need catalyst montmorillonite KSF. The yield is about 83%.

1,3,5-Benzenetriol,1,3,5-triacetate can be prepared by acetic acid anhydride and benzene-1,3,5-triol at the temperature of 62 °C

Uses of 1,3,5-Benzenetriol,1,3,5-triacetate: it can be used to produce 1,3,5-tris-benzyloxy-benzene at the ambient temperature. It will need reagents NaH, H2O and solvent dimethylformamide with the reaction time of 2 hours. The yield is about 97%.

1,3,5-Benzenetriol,1,3,5-triacetate can be used to produce 1,3,5-tris-benzyloxy-benzene at the ambient temperature

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)OC1=CC(=CC(=C1)OC(=O)C)OC(=O)C
(2)InChI: InChI=1S/C12H12O6/c1-7(13)16-10-4-11(17-8(2)14)6-12(5-10)18-9(3)15/h4-6H,1-3H3
(3)InChIKey: CLWKAMVDWLTMKD-UHFFFAOYSA-N