1,4-Cyclohexanedimethanol,1,4-dibenzoate supplier

Name
1,4-CYCLOHEXANEDIMETHANOL DIBENZOATE
EINECS 416-230-3
CAS No. 35541-81-2
Article Data5
CAS DataBase
Density 1.125 g/cm³
Solubility
Melting Point 125 °C
Formula C₂₂H₂₄O₄
Boiling Point 472.9 °C at 760 mmHg
Molecular Weight 352.43
Flash Point 233.7 °C
Transport Information
Appearance
Safety 61
Risk Codes 53
Molecular Structure
Hazard Symbols
Synonyms 1,4-Cyclohexanedimethanol,dibenzoate (7CI,9CI);1,4-Bis(benzoyloxymethyl)cyclohexane;Benzoflex 352;Cyclohexane-1,4-dimethanol dibenzoate;Cyclohexane-1,4-diyldimethanediyl dibenzoate;1,4-Cyclohexanedimethanol, dibenzoate;
PSA 52.60000
LogP 4.50680

1,4-Cyclohexanedimethanol,1,4-dibenzoate Specification

The 1,4-Cyclohexanedimethanol,1,4-dibenzoate, with the CAS registry number 35541-81-2, is also known as 1,4-Bis(benzoyloxymethyl)cyclohexane. Its EINECS number is 416-230-3. This chemical's molecular formula is C₂₂H₂₄O₄ and molecular weight is 352.42. What's more, its systematic name is cyclohexane-1,4-diyldimethanediyl dibenzoate. Its classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].

Physical properties of 1,4-Cyclohexanedimethanol,1,4-dibenzoate are: (1)ACD/LogP: 6.19; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.19; (4)ACD/BCF (pH 5.5): 29712.81; (5)ACD/KOC (pH 5.5): 55375.49; (6)#H bond acceptors: 4; (7)#H bond donors: 0; (8)#Freely Rotating Bonds: 8; (9)Polar Surface Area: 52.6 Å²; (10)Index of Refraction: 1.549; (11)Molar Refractivity: 99.74 cm³; (12)Molar Volume: 313.1 cm³; (13)Surface Tension: 44.6 dyne/cm; (14)Density: 1.125 g/cm³; (15)Flash Point: 233.7 °C; (16)Enthalpy of Vaporization: 73.59 kJ/mol; (17)Boiling Point: 472.9 °C at 760 mmHg; (18)Vapour Pressure: 4.13E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It may cause long-term adverse effects in the aquatic environment. It should be avoided releasing to the environment just refering to special instructions/safety data sheet.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC2CCC(COC(=O)c1ccccc1)CC2)c3ccccc3
(2)InChI: InChI=1S/C22H24O4/c23-21(19-7-3-1-4-8-19)25-15-17-11-13-18(14-12-17)16-26-22(24)20-9-5-2-6-10-20/h1-10,17-18H,11-16H2
(3)InChIKey: CVPZXHCZKMFVOZ-UHFFFAOYSA-N

Product Name

1,4-CYCLOHEXANEDIMETHANOL DIBENZOATE

1,4-Cyclohexanedimethanol,1,4-dibenzoate Specification

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