Bis(2-methylbutyl) phthalate supplier

Name
1,2-Benzenedicarboxylic acid, bis(2-methylbutyl) ester
EINECS
CAS No. 42925-80-4
Density 1.028 g/cm³
Solubility
Melting Point
Formula C₁₈H₂₆O₄
Boiling Point 318.7 °C at 760 mmHg
Molecular Weight 306.402
Flash Point 167.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Bis(2-methylbutyl) benzene-1,2-dicarboxylate;1,2-Benzenedicarboxylic acid, bis(2-methylbutyl) ester (9CI);1,2-Benzenedicarboxylic acid, bis(2-methylbutyl) ester;
PSA
LogP

Bis(2-methylbutyl) phthalate Specification

The 1,2-Benzenedicarboxylic acid, 1,2-bis(2-methylbutyl) ester, with the CAS registry number 42925-80-4, is also known as 1,2-Benzenedicarboxylic acid, bis(2-methylbutyl) ester. This chemical's molecular formula is C₁₈H₂₆O₄ and molecular weight is 306.40. What's more, its systematic name is bis(2-methylbutyl) benzene-1,2-dicarboxylate.

Physical properties of 1,2-Benzenedicarboxylic acid, 1,2-bis(2-methylbutyl) ester are: (1)ACD/LogP: 5.52; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.52; (4)ACD/LogD (pH 7.4): 5.52; (5)ACD/BCF (pH 5.5): 9234.11; (6)ACD/BCF (pH 7.4): 9234.11; (7)ACD/KOC (pH 5.5): 23989.42; (8)ACD/KOC (pH 7.4): 23989.42; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.494; (14)Molar Refractivity: 86.77 cm³; (15)Molar Volume: 298 cm³; (16)Polarizability: 34.4×10^-24cm³; (17)Surface Tension: 36 dyne/cm; (18)Density: 1.028 g/cm³; (19)Flash Point: 167.1 °C; (20)Enthalpy of Vaporization: 56.03 kJ/mol; (21)Boiling Point: 318.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000354 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(C)CC)c1ccccc1C(=O)OCC(C)CC
(2)Std. InChI: InChI=1S/C18H26O4/c1-5-13(3)11-21-17(19)15-9-7-8-10-16(15)18(20)22-12-14(4)6-2/h7-10,13-14H,5-6,11-12H2,1-4H3
(3)Std. InChIKey: MZLKGKRQKLIVBS-UHFFFAOYSA-N

Product Name

1,2-Benzenedicarboxylic acid, bis(2-methylbutyl) ester

Bis(2-methylbutyl) phthalate Specification

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