Tri-M-cresyl phosphate
Catalog Number
ACM563042-2
CAS
563-04-2
IUPAC Name
Tris(3-methylphenyl) phosphate
Synonyms
Phosphoric acid, tris(3-methylphenyl) ester
Molecular Weight
368.4
Molecular Formula
C21H21O4P
Product Information
Description
Wax. When mixed with its isomers (ortho and meta ), the result is a colorless, odorless liquid. (NTP, 1992)
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
Complexity
416
Exact Mass
368.11774614
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
26
Hydrogen Bond Acceptor Count
4
Hydrogen Bond Donor Count
0
MDL Number
MFCD00041907
Monoisotopic Mass
368.11774614
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.
Reaxys Registry Number
2063138
Refractive Index
1.56
Rotatable Bond Count
6
Signal Word
Warning
Solubility In Water
Insoluble
Specific Gravity
1.09
Topological Polar Surface Area
44.8 Ų
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