TCA-ethadyl
Basic information
- CAS
2514-53-6- Standard SMILES
O=C(OCCOC(=O)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl- InChIKey
SSDZRWBPFCFZGB-UHFFFAOYSA-N- Molecular formula
- C6H4Cl6O4
- Average molar mass
- 352.8 g/mol
- Monoisotopic mass
- 349.824075
Overview
TCA-ethadyl is a diester. It is functionally related to an ethylene glycol and a trichloroacetic acid.
Names & identifiers
- Preferred name
- TCA-ethadyl
- IUPAC
- 2-(2,2,2-trichloroacetyl)oxyethyl 2,2,2-trichloroacetate
- English name
- EGT
- Molecular formula
- C6H4Cl6O4
- Molecular weight
- 352.81
Names & synonyms
TCA-ethadylEthylene glycol bis(trichloroacetate)2514-53-6Ethylene trichloroacetateTCA-ethadyl [ISO]Ethylene bis(trichloroacetate)Glycol bis(trichloroacetate)Caswell No. 441AAcetic acid, trichloro-, ethylene esterEthylenglykoltrichloracetatEthylenglykoltrichloracetat [Czech]EINECS 219-732-9
Show more names
EGTGLYTAC(R)ETHYLENE BISTRICHLOROACETATEETHYLENE GLYCOL BIS[TRICHLOROACETATE]trichloro-aceticaciethyleneester(2:1)Bis(trichloroacetic acid)ethylene ester2-(2,2,2-trichloroacetyl)oxyethyl 2,2,2-trichloroacetateAcetic acid, 2,2,2-trichloro-, 1,1'-(1,2-ethanediyl) ester
NSC 23189NSC 41932NSC 56114Acetic acid, trichloro-, 1,2-ethanediyl esterEPA Pesticide Chemical Code 042201UNII-JX69068G2RBRN 1801835TCA ETHADYL
Database identifiers
- CAS
2514-53-6- PubChem CID
- 17284
- DTXSID
DTXSID7041960- ChEBI
CHEBI:82269- UNII
- JX69068G2R
- EC Number
- 219-732-9
- Nikkaji
- J34.744B
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Melting point
- 40 °C · 40°C
- Boiling point
- 146 °C · 146 °C
- Density
- 1.7257 · 1.7257 (estimate)
- FDA UNII
- 69068 G2R · JX69068G2R
- EPA Substance Registry System
- Ethylene glycol bis(trichloroacetate) (2514-53-6)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 38 · 38
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
H315: Causes skin irritation [Warning Skin corrosion/irritation]
P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P264, P280, P302+P352, P321, P332+P317, and P362+P364 (click each P-code to see the statement)
Hazard information
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin irritation - category 2
Skin Irrit. 2
Safety data
- risk_code
- 38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- Hazard statements
- H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Additional notes
DefinitionChEBI: TCA-ethadyl is a diester. It is functionally related to a trichloroacetic acid and an ethylene glycol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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