Ethyl diethoxyacetate

HCID 80169

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 6065-82-3
Standard SMILES: CCOC(=O)C(OCC)OCC
InChIKey: XCLBIKIQSCTANZ-UHFFFAOYSA-N
Molecular formula: C8H16O4
Average molar mass: 176.21 g/mol
Monoisotopic mass: 176.10485899

Names & identifiers

Preferred name: Ethyl diethoxyacetate
IUPAC: ethyl 2,2-diethoxyacetate
English name: Ethyl diethoxyacetate
Molecular formula: C8H16O4
Molecular weight: 176.21

Names & synonyms

Ethyl diethoxyacetateAcetic acid, diethoxy-, ethyl esterDiethoxyacetic acid ethyl esterEINECS 227-999-8ACETIC ACID,DIETHOXY,ETHYL ESTERAcetic acid, 2,2-diethoxy-, ethyl esterDTXSID2064101RefChem:138916DTXCID2042854227-999-8InChI=1/C8H16O4/c1-4-10-7(9)8(11-5-2)12-6-3/h8H,4-6H2,1-3HXCLBIKIQSCTANZ-UHFFFAOYSA-N

Show more names

2,6 DEA2,2-dlethoxyaceticacidethylesterdiethoxyacetateEthyl diethoxyacetatDIETHOXYETHYL ACETATE2,2-diethoxybutanoateEthyldiethoxyacetate,98%Ethyl Diethoxyacetate >

6065-82-3ethyl 2,2-diethoxyacetateMFCD00009231ETHYL-2,2-DIETHOXYACETATEGlyoxylic acid ethyl ester diethyl acetalEthyl Glyoxylate Diethyl AcetalDiethoxy-acetic acid ethyl esterD1883

Database identifiers

CAS: 6065-82-3
PubChem CID: 80169
DTXSID: DTXSID2064101
EC Number: 227-999-8
Nikkaji: J81.140H

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 44.8 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 12
Formal charge: 0
Complexity: 118

Physicochemical properties

Melting point: 198 · 198-200
Boiling point: 199 °C · 199 °C(lit.)
Density: 0.985 g/mL · 0.985 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.410(lit.)
Flash point: 73 °C · 73°C
storage temp.: Inert atmosphere,Room Temperature
solubility: Soluble in Dichloromethane, Ethyl Acetate and Methanol.
form: Colourless Liquid
color: Colorless to Almost colorless
BRN: 878579 · 878579
InChI: 1S/C8H16O4/c1-4-10-7(9)8(11-5-2)12-6-3/h8H,4-6H2,1-3H3
InChIKey: XCLBIKIQSCTANZ-UHFFFAOYSA-N
SMILES: CCOC(OCC)C(=O)OCC
LogP: 2.44 · 2.440 (est)
CAS DataBase Reference: 6065 · 6065-82-3(CAS DataBase Reference)
NIST Chemistry Reference: Acetic acid, diethoxy-, ethyl ester(6065-82-3)
EPA Substance Registry System: Acetic acid, diethoxy-, ethyl ester (6065-82-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 227 · H227
Precautionary statements: 210 · P210-P280-P370+P378-P403+P235-P501-P210e-P280a-P370+P378a-P501a
PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
Hazard Codes: Xi
Safety Statements: 24 · 24/25-36/37-26
RIDADR: 2810 · 2810
WGK Germany: 2 · 2
Hazard Note: Irritant
TSCA: TSCA listed
HS Code: 29189090 · 29189090
Storage Class: 10 · 10 - Combustible liquids
REACH Registrations: Active

Safety & regulation

Safety data

PPE: Eyeshields, Gloves, type ABEK (EN14387) respirator filter
wgk: 2
tsca: TSCA listed
ridadr: 2810
hs_code: 29189090
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_note: Irritant
safety_code: 24/25-36/37-26
Storage Class: 10 - Combustible liquids
Hazard statements: H227
REACH Registrations: Active
Precautionary statements: P210-P280-P370+P378-P403+P235-P501-P210e-P280a-P370+P378a-P501a

Chemistry & industry

Applications · 3 items

UsesBy-product in the synthesis of Ethyl-2-(diethoxyphosphoryl)-2-hydroxyacetate

UsesEthyl diethoxyacetate is used in the preparation of a fatty acid analog containing DTS, 12,13-dioxotetradecanoic acid di(N-methyl-thiosemicarbazone) (FA-DTS). It is used for synthesis of heterocyclic compounds.

UsesEthyl diethoxyacetate was used in the preparation of a fatty acid analog containing DTS, 12,13-dioxotetradecanoic acid di(N-methyl-thiosemicarbazone) (FA-DTS).