Trimethyl phosphate - CAS 512-56-1

Catalog:	BB027383
Product Name:	Trimethyl phosphate
CAS:	512-56-1
Synonyms:	Phosphoric acid trimethyl ester; Trimethoxyphosphine oxide
Application:	Trimethyl Phosphate is used as an electrolyte additive in the synthesis of lithium ion batteries.

Technical Data

IUPAC Name:	trimethyl phosphate
Description:	Trimethyl phosphate has a role as an insect attractant.
Molecular Weight:	140.07
Molecular Formula:	C3H9O4P
Canonical SMILES:	COP(=O)(OC)OC
InChI:	InChI=1S/C3H9O4P/c1-5-8(4,6-2)7-3/h1-3H3
InChI Key:	WVLBCYQITXONBZ-UHFFFAOYSA-N
Boiling Point:	197 °C
Melting Point:	-46 °C
Flash Point:	107 °C
Purity:	> 95 %
Density:	1.22 g/cm³
Solubility:	Soluble in Ether, Alcohol
Appearance:	Colorless to almost colorless clear liquid
Decomposition:	When heated to decomposition it emits toxic fume of phosphorus oxides
MDL:	MFCD00008348
LogP:	1.03370
Refractive Index:	1.4
Stability:	Stable under recommended storage conditions
Vapor Pressure:	1 mmHg at 78.8 °F ; 5 mmHg at 128.7 °F; 10 mmHg at 154.0 °F

GHS Hazard Statement:	H302 (82.91%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P201, P202, P260, P264, P270, P280, P281, P301+P312, P302+P352, P305+P351+P338, P308+P313, P310, P314, P321, P330, P332+P313, P337+P313, P362, P405, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
25510514	20150122	Affinities of organophosphate flame retardants to tumor suppressor gene p53: an integrated in vitro and in silico study	Toxicology letters
22871427	20121101	A method for simultaneous quantification of phospholipid species by routine 31P NMR	Journal of pharmaceutical and biomedical analysis
22663068	20120618	Oxidation of phosphorus centers by ferrate(VI): spectral observation of an intermediate	Inorganic chemistry
22364745	20120401	The synthesis of 2'-methylseleno adenosine and guanosine 5'-triphosphates	Bioorganic & medicinal chemistry
21835412	20110923	Development of an ultra-high-performance liquid chromatography-tandem mass spectrometry method for high throughput determination of organophosphorus flame retardants in environmental water	Journal of chromatography. A

Complexity:	82.4
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	140.02384576
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	140.02384576
Rotatable Bond Count:	3
Topological Polar Surface Area:	44.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5