Ethyl bis(ethylthio)acetate
Basic information
- CAS
20461-95-4- Standard SMILES
CCOC(=O)C(SCC)SCC- InChIKey
DGQHHBMWVOYSHU-UHFFFAOYSA-N- Molecular formula
- C8H16O2S2
- Average molar mass
- 208.3 g/mol
- Monoisotopic mass
- 208.0591721
Names & identifiers
- Preferred name
- Ethyl bis(ethylthio)acetate
- IUPAC
- ethyl 2,2-bis(ethylsulfanyl)acetate
- English name
- Glyoxylic acid ethyl ester diethyl mercaptal
- Molecular formula
- C8H16O2S2
- Molecular weight
- 208.34
Names & synonyms
Ethyl bis(ethylthio)acetate20461-95-4Glyoxylic acid ethyl ester diethyl mercaptal5CND477VD7EINECS 243-836-32,2-bis(ethylthio)acetic acid ethyl esterAcetic acid, bis(ethylthio)-, ethyl esterDTXSID30174425RefChem:596142DTXCID2096916243-836-3ethyl 2,2-bis(ethylsulfanyl)acetate
Show more names
ETHYL DI(ETHYLTHIO)ACETATEDGQHHBMWVOYSHU-UHFFFAOYSA-NEthyl bis(ethylthio)acetate,99%ethyl2,2-bis(ethylsulfanyl)acetateEthyl bis(ethylthio)acetate, 99% 5GRBis(ethylthio)acetic acid ethyl esterEthyl Glyoxylate Diethyl Dithioacetal
Acetic acid, 2,2-bis(ethylthio)-, ethyl esterEthyl bis(ethylsulfanyl)acetateEthyl-bis(ethythio)acetateUNII-5CND477VD7SCHEMBL11493884DGQHHBMWVOYSHU-UHFFFAOYSA-Ethyl bis(ethylsulfanyl)acetate #AKOS015915783
Database identifiers
- CAS
20461-95-4- PubChem CID
- 88550
- DTXSID
DTXSID30174425- UNII
- 5CND477VD7
- EC Number
- 243-836-3
- Nikkaji
- J236.630D
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 76.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Boiling point
- 70 °C0.1 · 70 °C0.1 mm Hg(lit.)
- Density
- 1.071 g/mL · 1.071 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.497(lit.)
- Flash point
- 77 °F · 77 °F
- storage temp.
- Flammables area
- FDA UNII
- 5 CND477VD7 · 5CND477VD7
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Warning
- Hazard statements
- 315 · H315-H226-H335-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Hazard Codes
- Xi
- Risk Statements
- 10 · 10-36/37/38
- Safety Statements
- 26 · 26-36
- RIDADR
- 3272 · UN 3272 3/PG 3
- WGK Germany
- 3 · 3
- F
- 13 · 13
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, 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. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- F
- 13
- wgk
- 3
- ridadr
- UN 3272 3/PG 3
- hs_code
- 29309099
- risk_code
- 10-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS02
- hazard_code
- Xi
- safety_code
- 26-36
- hazard_class
- 3.2
- packing_group
- III
- Hazard statements
- H315-H226-H335-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…