Butyl isobutyl phthalate supplier

Name
Butyl isobutyl phthalate
EINECS 241-802-2
CAS No. 17851-53-5
Density 1.051 g/cm³
Solubility
Melting Point
Formula C₁₆H₂₂O₄
Boiling Point 315.7 °C at 760 mmHg
Molecular Weight 278.348
Flash Point 165.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-methylpropyl butyl benzene-1,2-dicarboxylate;
PSA 52.60000
LogP 3.45630

Butyl isobutyl phthalate Specification

This chemical is called Butyl isobutyl phthalate, and its IUPAC name is 1-O-butyl 2-O-(2-methylpropyl) benzene-1,2-dicarboxylate. With the molecular formula of C₁₆H₂₂O₄, its molecular weight is 278.34. The CAS registry number of this chemical is 17851-53-5.

Other characteristics of the Butyl isobutyl phthalate can be summarised as followings: (1)ACD/LogP: 4.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.64; (4)ACD/LogD (pH 7.4): 4.64; (5)ACD/BCF (pH 5.5): 1984.04; (6)ACD/BCF (pH 7.4): 1984.04; (7)ACD/KOC (pH 5.5): 7979.64; (8)ACD/KOC (pH 7.4): 7979.64; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.497; (14)Molar Refractivity: 77.55 cm³; (15)Molar Volume: 264.6 cm³; (16)Polarizability: 30.74×10^-24cm³; (17)Surface Tension: 37 dyne/cm; (18)Density: 1.051 g/cm³; (19)Flash Point: 165.4 °C; (20)Enthalpy of Vaporization: 55.69 kJ/mol; (21)Boiling Point: 315.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000431 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OCC(C)C)c1ccccc1C(=O)OCCCC
2.InChI: InChI=1/C16H22O4/c1-4-5-10-19-15(17)13-8-6-7-9-14(13)16(18)20-11-12(2)3/h6-9,12H,4-5,10-11H2,1-3H3
3.InChIKey: UVIVWIFUPKGWGF-UHFFFAOYAG

Product Name

Butyl isobutyl phthalate

Butyl isobutyl phthalate Specification

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