trimethyl phosphate

• ChemBase ID: 89800
• Molecular Formular: C3H9O4P
• Molecular Mass: 140.074921
• Monoisotopic Mass: 140.0238454
• SMILES: P(=O)(OC)(OC)OC
• Canonical SMILES: COP(=O)(OC)OC
• InChI: InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3
• InChIKey: WVLBCYQITXONBZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: trimethyl phosphate
• IUPAC Traditional name: trimethyl phosphate
• Synonyms: TRIMETHYL PHOSPHATE; TMP; TMPA; TMPO; Trimethyl phosphate; Phosphoric acid trimethyl ester; Trimethyl phosphate 97%; phosphoric acid trimethyl ester; TMP; methyl phosphate,; trimethoxyphosphine oxide; trimethyl orthophosphate; 磷酸三甲酯

Database IDs

• CAS Number: 512-56-1
• EC Number: 208-144-8
• MDL Number: MFCD00008348
• Beilstein Number: 1071731
• PubChem SID: 24847552; 24854454; 162076656; 24889694
• PubChem CID: 10541
• CHEBI ID: 46324
• Chemspider ID: 10101
• Wikipedia Title: Trimethyl_phosphate

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.113778345
• LogD (pH = 7.4): 0.113778345
• Log P: 0.113778345
• Molar Refractivity: 28.0988 cm^3
• Polarizability: 11.830402 Å^3
• Polar Surface Area: 44.76 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: water
• Apperance: Colorless liquid
• Melting Point: -46 °C; -46 °C(lit.); -46°C; -46°C
• Boiling Point: 196-198°C; 197 °C; 197 °C(lit.); 197°C
• Flash Point: >150°C(302°F); 150 °C; 302 °F
• Density: 1.197; 1.197 g/mL at 25 °C(lit.); 1.213; 1.97 g/ml
• Refractive Index: 1.395; 1.3970; n20/D 1.395(lit.); n20/D 1.397

Safety Information

• Storage Warning: Moisture Sensitive; Toxic/Moisture Sensitive
• RTECS: TC8225000
• European Hazard Symbols: Toxic (T); Harmful (Xn)
• German water hazard class: 1
• Risk Statements: 46-22-36/38-40; 46-22-40; R:40/22; R22,R36/37/38
• Safety Statements: 53-36/37-45; 53-45; S:36/37/39-53; S36/37,S45
• TSCA Listed: 是
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Danger; Warning
• NFPA704:
  

  1

  2

  0
• GHS Hazard statements: H302-H340-H351; H302-H351; H340-H351-H302-H315-H319
• GHS Precautionary statements: P201-P281-P308 + P313; P201-P309-P310; P281
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥95.0%; ≥97.0% (GC); ≥99%; 97%; 98+%
• Grade: purum; SAJ first grade
• Linear Formula: (CH3O)3PO

DETAILS

Sigma Aldrich - 132195

Packaging
1 kg in poly bottle
250 g in poly bottle

Sigma Aldrich - 241024

Packaging
50 g in poly bottle

REFERENCES

• Alternative to dimethyl sulfate for preparation of methyl esters of hindered carboxylic acids: Chem. Ind. (London), 1002 (1973). Used in N,N-dimethylation of aromatic amines, avoiding quaternization: Org. Synth. Coll., 5, 1085 (1973), and in N-methylation of nitrogen heterocycles, e.g. pyrimidines and imidazoles: J. Chem. Soc., Perkin 1, 391, 2506 (1973).