Pentaerythritol tetra(2-ethylhexanoate) supplier

Name
Pentaerythritol tetra(2-ethylhexanoate)
EINECS 230-743-8
CAS No. 7299-99-2
Article Data4
CAS DataBase
Density 0.978 g/cm³
Solubility 400ng/L at 20℃
Melting Point
Formula C₃₇H₆₈O₈
Boiling Point 647.7 °C at 760 mmHg
Molecular Weight 640.942
Flash Point 257.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Ethylhexanoic acid, 2,2-bis(((1-oxo-2-ethylhexyl)oxy)methyl)-1,3-propanediyl ester;
PSA 105.20000
LogP 9.01120

Pentaerythritol tetra(2-ethylhexanoate) Specification

The Pentaerythritol tetra(2-ethylhexanoate), with the CAS registry number 7299-99-2, is also known as 2-Ethylhexanoic acid, 2,2-bis(((1-oxo-2-ethylhexyl)oxy)methyl)-1,3-propanediyl ester. Its EINECS registry number is 230-743-8. This chemical's molecular formula is C₃₇H₆₈O₈ and molecular weight is 640.93. What's more, both its IUPAC name and systematic name are the same which is called 3-[(2-Ethylhexanoyl)oxy]-2,2-bis{[(2-ethylhexanoyl)oxy]methyl}propyl 2-ethylhexanoate.

Physical properties about Pentaerythritol tetra(2-ethylhexanoate) are: (1)ACD/LogP: 12.02; (2)#of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 12.02; (4)ACD/LogD (pH 7.4): 12.02; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 8; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 32; (12)Polar Surface Area: 105.2 Å²; (13)Index of Refraction: 1.463; (14)Molar Refractivity: 180.36 cm³; (15)Molar Volume: 654.7 cm³; (16)Surface Tension: 34.5 dyne/cm; (17)Density: 0.978 g/cm³; (18)Flash Point: 257.3 °C; (19)Enthalpy of Vaporization: 95.51 kJ/mol; (20)Boiling Point: 647.7 °C at 760 mmHg; (21)Vapour Pressure: 1.15E-16 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCC(COC(=O)C(CC)CCCC)(COC(=O)C(CC)CCCC)COC(=O)C(CC)CCCC)C(CC)CCCC
(2) InChI: InChI=1/C37H68O8/c1-9-17-21-29(13-5)33(38)42-25-37(26-43-34(39)30(14-6)22-18-10-2,27-44-35(40)31(15-7)23-19-11-3)28-45-36(41)32(16-8)24-20-12-4/h29-32H,9-28H2,1-8H3
(3) InChIKey: DRRMRHKHTQRWMB-UHFFFAOYAY

Product Name

Pentaerythritol tetra(2-ethylhexanoate)

Pentaerythritol tetra(2-ethylhexanoate) Specification

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