CAS 1241-94-7 2-Ethylhexyl Diphenyl Phosphate

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2-Ethylhexyl Diphenyl Phosphate

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Catalog Number

ACM1241947-1

Product Name

2-Ethylhexyl Diphenyl Phosphate

Structure

CAS

1241-94-7

Category

Battery Materials

Synonyms

Octyl Diphenyl Phosphate

Description

2-ethylhexyl diphenyl phosphate is a pale yellow liquid. Insoluble in water. (NTP, 1992);Liquid

IUPAC Name

2-ethylhexyl diphenyl phosphate

Molecular Weight

362.41

Molecular Formula

C20H27O4P

Canonical SMILES

CCCCC(CC)COP(=O)(OC1=CC=CC=C1)OC2=CC=CC=C2

InChI

InChI=1S/C20H27O4P/c1-3-5-12-18(4-2)17-22-25(21,23-19-13-8-6-9-14-19)24-20-15-10-7-11-16-20/h6-11,13-16,18H,3-5,12,17H2,1-2H3

InChI Key

CGSLYBDCEGBZCG-UHFFFAOYSA-N

Boiling Point

232 °C/5 mmHg

Melting Point

-30 °C

Flash Point

224 °C

Purity

>90.0%(GC)

Density

1.09

Solubility

Insoluble (NTP, 1992);5.24e-06 M;In water, 1.9 mg/L at 25 °C

Appearance

Colorless to Almost colorless clear liquid

Color/Form

Liquid

Complexity

365

Covalently-Bonded Unit Count

EC Number

214-987-2

Exact Mass

362.164696g/mol

Formal Charge

Hazard Statements

H410 : Very toxic to aquatic life with long lasting effects.

Heavy Atom Count

Log P

5.73 (LogP);log Kow = 5.730

MDL Number

MFCD00059949

MeSH Entry Terms

2-ethylhexyldiphenylphosphate;di(2-ethylhexyl)phenylphosphate

Monoisotopic Mass

362.164696g/mol

Other Experimental

... 2-Ethylhexyl diphenyl phosphate does not ignite spontaneously below 1000 °F and remains fluid at low temperatures ... .;BP: 232 °C at 5 mm Hg;MP: -80 °C; BP: 330 °C; VP: 0.5 mm Hg at 100 °C;Very low vapor pressure;Henry's Law constant = 5.42X10-5 atm cu m/mole at 25 °C;Hydroxyl radical reaction rate constant = 3.98X10-11 cu cm/molec-sec at 25 °C (est)

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.P391 : Collect spillage.

Refractive Index

1.51

Rotatable Bond Count

Signal Word

Warning

Specific Gravity

1.09

Stability

Stable under recommended storage conditions.

UN Number