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Product No: AA1145

Triethyl phosphonoacetate, 98%

Name: Triethyl phosphonoacetate
Brand: Chempure

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CAS Number

867-13-0

Molecular Weight

224.19

Formula

C8H17O5P

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About this item

IUPAC name	ethyl 2-diethoxyphosphorylacetate
canonical smiles	CCOC(=O)CP(=O)(OCC)OCC
inchi	InChI=1S/C8H17O5P/c1-4-11-8(9)7-14(10,12-5-2)13-6-3/h4-7H2,1-3H3
inchi key	GGUBFICZYGKNTD-UHFFFAOYSA-N
molecular formula	C8H17O5P
synonyms	Triethyl phosphonoacetate 867-13-0 Ethyl 2-(diethoxyphosphoryl)acetate Ethyl (diethoxyphosphoryl)acetate Diethyl ethoxycarbonylmethanephosphonate

Computed Properties

Molecular Weight:	224.19 g/mol
XLogP3:	0.5
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	8
Exact Mass:	224.08136064 g/mol
Monoisotopic Mass:	224.08136064 g/mol
Topological Polar Surface Area:	61.8 Å²
Heavy Atom Count:	14
Formal Charge:	0
Complexity:	206
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Triethyl phosphonoacetate

Trimethyl phosphonoacetate

Triethyl 2-phosphonopropionate

Phosphonic acid, (2-(acetyloxy)ethyl)-, dimethyl ester

Diethyl (2-oxopropyl)phosphonate

Methyl diethylphosphonoacetate

Diethyl (2-amino-2-oxoethyl)phosphonate

Diethyl (2-oxoethyl)phosphonate

Phosphonic acid, (3-methyl-2-oxobutyl)-, diethyl ester

Ethyl 2-(bis(2,2,2-trifluoroethoxy)phosphoryl)acetate

Diethyl 2-oxo-2-phenylethylphosphonate

Diisopropyl (ethoxycarbonylmethyl)phosphonate

Triethyl 2-fluoro-2-phosphonoacetate

Ethyl dimethylphosphonoacetate

Diethyl (3,3-dimethyl-2-oxobutyl)phosphonate

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (22.06%) Eye Irrit. 2 (91.18%) STOT SE 3 (16.18%) Aquatic Chronic 2 (44.12%)
precautionary statement codes	P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501
hazard statements	H315 (22.06%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (91.18%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (16.18%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H411 (44.12%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
hazards summary	Oral lethal-dose (rat) > 500 mg/kg. An irritant that may cause serious eye injury.

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Documentation

Certificate of Analysis

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CAS #

*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	ethyl 2-diethoxyphosphorylacetate
canonical smiles	CCOC(=O)CP(=O)(OCC)OCC
inchi	InChI=1S/C8H17O5P/c1-4-11-8(9)7-14(10,12-5-2)13-6-3/h4-7H2,1-3H3
inchi key	GGUBFICZYGKNTD-UHFFFAOYSA-N
molecular formula	C8H17O5P
synonyms	Triethyl phosphonoacetate 867-13-0 Ethyl 2-(diethoxyphosphoryl)acetate Ethyl (diethoxyphosphoryl)acetate Diethyl ethoxycarbonylmethanephosphonate

Computed Properties

Molecular Weight:	224.19 g/mol
XLogP3:	0.5
Hydrogen Bond Donor Count:	0
Hydrogen Bond Acceptor Count:	5
Rotatable Bond Count:	8
Exact Mass:	224.08136064 g/mol
Monoisotopic Mass:	224.08136064 g/mol
Topological Polar Surface Area:	61.8 Å²
Heavy Atom Count:	14
Formal Charge:	0
Complexity:	206
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

Related Compounds

Triethyl phosphonoacetate

Trimethyl phosphonoacetate

Triethyl 2-phosphonopropionate

Phosphonic acid, (2-(acetyloxy)ethyl)-, dimethyl ester

Diethyl (2-oxopropyl)phosphonate

Methyl diethylphosphonoacetate

Diethyl (2-amino-2-oxoethyl)phosphonate

Diethyl (2-oxoethyl)phosphonate

Phosphonic acid, (3-methyl-2-oxobutyl)-, diethyl ester

Ethyl 2-(bis(2,2,2-trifluoroethoxy)phosphoryl)acetate

Diethyl 2-oxo-2-phenylethylphosphonate

Diisopropyl (ethoxycarbonylmethyl)phosphonate

Triethyl 2-fluoro-2-phosphonoacetate

Ethyl dimethylphosphonoacetate

Diethyl (3,3-dimethyl-2-oxobutyl)phosphonate

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (22.06%) Eye Irrit. 2 (91.18%) STOT SE 3 (16.18%) Aquatic Chronic 2 (44.12%)
precautionary statement codes	P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501
hazard statements	H315 (22.06%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (91.18%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (16.18%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H411 (44.12%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
hazards summary	Oral lethal-dose (rat) > 500 mg/kg. An irritant that may cause serious eye injury.

Product No: AA1145

Triethyl phosphonoacetate, 98%

Product No: AA1145

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

Require a Sample Certificate of Analysis (COA) ?

Reviews

Product No: AA1145

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

Related Compounds

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?