CAS 162246-77-7 Ethyl 2-(acetyloxy)-2-(diethyl phosphono)acetate (HCID 4131038)

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Basic information

CAS: 162246-77-7
Standard SMILES: CCOC(=O)C(OC(C)=O)P(=O)(OCC)OCC
InChIKey: QHQNXSICNKWLOC-UHFFFAOYSA-N
Molecular formula: C10H19O7P
Average molar mass: 282.23 g/mol
Monoisotopic mass: 282.08683958

Names & identifiers

Preferred name: Ethyl 2-(acetyloxy)-2-(diethyl phosphono)acetate
IUPAC: ethyl 2-acetyloxy-2-diethoxyphosphorylacetate
English name: Ethyl 2-acetoxy-2-(diethoxyphosphoryl)acetate
Molecular formula: C10H19O7P
Molecular weight: 282.23

Names & synonyms

ethyl 2-(acetyloxy)-2-(diethyl phosphono)acetateRefChem:593948837-335-4162246-77-7ETHYL 2-ACETOXY-2-(DIETHOXYPHOSPHORYL)ACETATEethyl (acetyloxy)(diethoxyphosphoryl)acetateethyl 2-acetyloxy-2-diethoxyphosphorylacetateMFCD04039534Acetic acid, 2-(acetyloxy)-2-(diethoxyphosphinyl)-, ethyl esterC10H19O7PSCHEMBL584805Acetic acid, (acetyloxy)(diethoxyphosphinyl)-, ethyl ester

Show more names

Ethyl2-Acetoxy-2-(diethoxyphosporyl)acetatediethyl (2,5-dioxo-3,6-dioxaoct-4-yl)phosphonateEthyl 2-(acetyloxy)-2-(diethoxyphosphinyl)acetateAcetyloxy(diethoxyphosphinyl)acetic Acid Ethyl EsterAceticAcid,Acetyloxy(diethoxyphosphinyl)-,EthylEster

DTXSID70399675QHQNXSICNKWLOC-UHFFFAOYSA-NAcetic acid,2-(acetyloxy)-2-(diethoxyphosphinyl)-, ethyl esterAR3110AKOS016344388ethyl acetoxy(diethoxyphosphoryl)acetateethyl (acetoxy)(diethoxyphosphoryl)acetateSY239806

Database identifiers

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 88.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 7
Rotatable bonds: 10
Heavy atoms: 18
Formal charge: 0
Complexity: 318

Physicochemical properties

Boiling point: 100 °C/10-3 · 100°C/10-3 Torr
Density: 1.186 · 1.186±0.06 g/cm3(Predicted)
storage temp.: Refrigerator
solubility: Chloroform, Ethyl Acetate
form: Oil
color: Clear Light Yellow
Symbol(GHS): 7 · GHS07,GHS08
Signal word: Danger
Hazard statements: 335 · H335-H315-H334-H319-H317
Precautionary statements: 261 · P261-P285-P304+P341-P342+P311-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word: Danger
Symbol(GHS): GHS07,GHS08
Hazard statements: H335-H315-H334-H319-H317
Precautionary statements: P261-P285-P304+P341-P342+P311-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P261-P272-P280-P302+P352-P333+P313-P321-P363-P501