Trimethyl phosphate(TMP) - ≥98% , CAS No.512-56-1

CAS: 512-56-1 Cat. No.: T104024 Formula: C₃H₉O₄P Molecular Weight: 140.07 Beilstein Registry Number: 1071731 EC Number: 208-144-8 PubChem CID: 10541

GRADE & PURITY ≥98%

Synonyms

TMP | NCGC00248617-01 | P(O)(OCH3)3 | CAS-512-56-1 | EINECS 208-144-8 | TRIMETHYL PHOSPHATE [HSDB] | Trimethylfosfat [Czech] | NCGC00248617-02 | CCRIS 610 | Tox21_302740 | AI3-05905 | NSC 58985 | UNII-Z1E45TMW1Z | InChI=1/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H |

Storage

Room temperature

Shipped In

Normal

Overview

The trimethyl phosphate levels in environmental water was determined by direct analysis real-time ionization source interfaced with a triple quadrupole mass spectrometer (DART-MS/MS) with multiple reaction monitoring (MRM).

Specifications

Synonyms

TMP | NCGC00248617-01 | P(O)(OCH3)3 | CAS-512-56-1 | EINECS 208-144-8 | TRIMETHYL PHOSPHATE [HSDB] | Trimethylfosfat [Czech] | NCGC00248617-02 | CCRIS 610 | Tox21_302740 | AI3-05905 | NSC 58985 | UNII-Z1E45TMW1Z | InChI=1/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H |

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

Pubchem Sid

508815675

Canonical Smiles

COP(=O)(OC)OC

IUPAC Name

trimethyl phosphate

InChIKey

WVLBCYQITXONBZ-UHFFFAOYSA-N

INCHI

1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3

Isomeric SMILES

COP(=O)(OC)OC

WGK Germany

1

RTECS

TC8225000

PubChem CID

10541

Molecular Weight

140.07

Beilstein

1071731

Reaxy-Rn

1071731

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic phosphoric acids and derivatives
      • Subclass Phosphate esters
        • Level5 Alkyl phosphates
          • Level6 Trialkyl phosphates

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphoric acids and derivatives
• Subclass: Phosphate esters
• Intermediate Tree Nodes: Alkyl phosphates
• Direct Parent: Trialkyl phosphates
• Alternative Parents: Organooxygen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Trialkyl phosphate - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as trialkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly three alkyl chains.
• External Descriptors: trialkyl phosphate

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Mechanisms of Action

Chemical and Physical Properties

• Solubility: Soluble in Water，Ether, Alcohol
• Sensitivity: Hygroscopic
• Refractive Index: 1.3967
• Flash Point(°F): 302 °F
• Flash Point(°C): 107℃
• Boil Point(°C): 197.2°C
• Melt Point(°C): -46°C
• Molecular Weight: 140.070 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 140.024 Da
• Monoisotopic Mass: 140.024 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 82.400
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1