1,1-Diethoxyethene

HCID 137673

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 2678-54-8
Standard SMILES: C=C(OCC)OCC
InChIKey: VTGIVYVOVVQLRL-UHFFFAOYSA-N
Molecular formula: C6H12O2
Average molar mass: 116.16 g/mol
Monoisotopic mass: 116.08372962

Names & identifiers

Preferred name: 1,1-Diethoxyethene
IUPAC: 1,1-diethoxyethene
English name: 1,1-diethoxyethylene
Molecular formula: C6H12O2
Molecular weight: 116.16

Names & synonyms

1,1-DiethoxyetheneRefChem:5926002678-54-8Ketene diethyl acetalEthene, 1,1-diethoxy-1,1-diethoxyethyleneMFCD00467747Ketene diethylacetalKetene, diethyl acetaldiethoxyethylene1,1diethoxyethylene1,1-diethoxy-ethene

Show more names

1353381,1-DiethoxyethenDiethyl ketene acetal1,1-Diethoxyethene, stabilized2-(1-ethoxypropoxy)ethen-1-oneKETENE DIETHYL ACETAL STAB. WACKER &

1-ethoxy-ethenoxy-ethaneSCHEMBL388497SCHEMBL12115269DTXSID50181292VTGIVYVOVVQLRL-UHFFFAOYSA-NAKOS015949588AS-57084FD181813

Database identifiers

CAS: 2678-54-8
PubChem CID: 137673
DTXSID: DTXSID50181292
EC Number: 620-977-2
Nikkaji: J485.131E

Properties

Computed structural properties

XLogP: 1.7
Topological polar surface area: 18.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 8
Formal charge: 0
Complexity: 60

Physicochemical properties

Boiling point: 49 · 49-50 °C(lit.)
Density: 0.88 g/mL · 0.880 g/mL at 20 °C(lit.)
refractive index: 20 · n20/D 1.414
Flash point: 27 °C · 27 °C
storage temp.: 2 · 2-8°C
solubility: soluble in THF, ether, benzene; decomposes in water, ethanol.
InChI: InChI=1S/C6H12O2/c1-4-7-6(3)8-5-2/h3-5H2,1-2H3
InChIKey: VTGIVYVOVVQLRL-UHFFFAOYSA-N
SMILES: C(OCC)(OCC)=C
Symbol(GHS): 2 · GHS02
Signal word: Warning
Hazard statements: 226 · H226
Risk Statements: 10 · 10
Safety Statements: 23 · 23
RIDADR: 1993 · UN 1993 3/PG 3
WGK Germany: 3 · 3

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety data

wgk: 3
ridadr: UN 1993 3/PG 3
risk_code: 10
Signal word: Warning
Symbol(GHS): GHS02
safety_code: 23
Hazard statements: H226

Chemistry & industry

Applications

Uses1,1-diethoxyethylene can be used as organic synthesis intermediate and pharmaceutical intermediate, mainly used in laboratory research and development process and chemical production process.