CAS 563-04-2 Tri-M-cresyl phosphate - Materials / Alfa Chemistry

NAVIGATION

Tri-M-cresyl phosphate

PRICE INQUIRY

Catalog Number

ACM563042-2

CAS Number

563-04-2

Product Name

Tri-M-cresyl phosphate

Structure

Category

Battery Materials; Electronic Materials

Synonyms

Phosphoric acid, tris(3-methylphenyl) ester

Description

Wax. When mixed with its isomers (ortho and meta ), the result is a colorless, odorless liquid. (NTP, 1992)

IUPAC Name

Tris(3-methylphenyl) phosphate

Molecular Weight

368.4

Molecular Formula

C21H21O4P

Canonical SMILES

CC1=CC(=CC=C1)OP(=O)(OC2=CC=CC(=C2)C)OC3=CC=CC(=C3)C

InChI

InChI=1S/C21H21O4P/c1-16-7-4-10-19(13-16)23-26(22,24-20-11-5-8-17(2)14-20)25-21-12-6-9-18(3)15-21/h4-15H,1-3H3

InChI Key

RMLPZKRPSQVRAB-UHFFFAOYSA-N

Boiling Point

410 °C

Melting Point

25.5 °C

Flash Point

210 °C

Purity

95%

Density

1.16 g/cm3

Solubility

slightly soluble in Alcohol;very soluble in Toluene

Appearance

White to Light yellow powder to lump

Color/Form

Wax

Complexity

416

Covalently-Bonded Unit Count

Defined Atom Stereocenter Count

Defined Bond Stereocenter Count

EC Number

209-241-8

Exact Mass

368.11774614

Formal Charge

Hazard Statements

H302 + H312 + H332 : Harmful if swallowed, in contact with skin or if inhaled.H411 : Toxic to aquatic life with long lasting effects.

Heavy Atom Count

Hydrogen Bond Acceptor Count

Hydrogen Bond Donor Count

Isotope Atom Count

Log P

log Kow = 6.34 (est)

MDL Number

MFCD00041907

Monoisotopic Mass

368.11774614

NSC Number

4055

Other Experimental

Henry's Law constant = 1.0X10-6atm-cu m/mol at 25 °C (est);Hydroxyl radical reaction rate constant = 2.9X10-11 cu cm/molecule-sec at 25 °C (est)

Precautionary Statements

P501 : Dispose of contents/ container to an approved waste disposal plant.P261 : Avoid breathing dust/ fume/ gas/ mist/ vapors/ spray.P273 : Avoid release to the environment.P270 : Do not eat, drink or smoke when using this product.P271 : Use only outdoors or in a well-ventilated area.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing.P391 : Collect spillage.P363 : Wash contaminated clothing before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water.Call a POISON CENTER/doctor if you feel unwell.P304 + P340 + P312 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Call a POISON CENTER/doctor if you feel unwell.

Refractive Index

1.56

Rotatable Bond Count

Signal Word

Warning

Specific Gravity

1.09

Stability

Stable, non-volatile /Tricresyl phosphate/

Topological Polar Surface Area

44.8 Å²

Undefined Atom Stereocenter Count