Bis(tert-butyl) isophthalate supplier

Name
BIS (TERT-BUTYL) ISOPHTHALATE
EINECS
CAS No. 33813-32-0
Density 1.052 g/cm³
Solubility
Melting Point
Formula C₁₆H₂₂O₄
Boiling Point 346.1 °C at 760 mmHg
Molecular Weight 278.348
Flash Point 162.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms BIS (TERT-BUTYL) ISOPHTHALATE;Nsc243724;1,3-Benzenedicarboxylic acid, bis(1,1-diMethylethyl) ester
PSA 52.60000
LogP 3.59720

Bis(tert-butyl) isophthalate Specification

The Bis(tert-butyl) isophthalate is an organic compound with the formula C₁₆H₂₂O₄. The systematic name of this chemical is di-tert-butyl benzene-1,3-dicarboxylate. With the CAS registry number 33813-32-0, it is also named as 1,3-benzenedicarboxylic acid, bis(1,1-dimethylethyl) ester. In addition, the molecular weight is 278.34.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.91; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 52.6 Å²; (7)Index of Refraction: 1.498; (8)Molar Refractivity: 77.52 cm³; (9)Molar Volume: 264.3 cm³; (10)Polarizability: 30.73×10^-24 cm³; (11)Surface Tension: 35.6 dyne/cm; (12)Density: 1.052 g/cm³; (13)Flash Point: 162.5 °C; (14)Enthalpy of Vaporization: 59.02 kJ/mol; (15)Boiling Point: 346.1 °C at 760 mmHg; (16)Vapour Pressure: 5.9E-05 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(OC(C)(C)C)c1cccc(C(=O)OC(C)(C)C)c1
2. InChI:InChI=1/C16H22O4/c1-15(2,3)19-13(17)11-8-7-9-12(10-11)14(18)20-16(4,5)6/h7-10H,1-6H3
3. InChIKey:JCBDRGVENJADNA-UHFFFAOYAM
4. Std. InChI:InChI=1S/C16H22O4/c1-15(2,3)19-13(17)11-8-7-9-12(10-11)14(18)20-16(4,5)6/h7-10H,1-6H3
5. Std. InChIKey:JCBDRGVENJADNA-UHFFFAOYSA-N

Product Name

BIS (TERT-BUTYL) ISOPHTHALATE

Bis(tert-butyl) isophthalate Specification

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