4,4'-Dimethylenebis(ethyl benzoate)
Basic information
- CAS
111977-60-7- Standard SMILES
CCOC(=O)c1ccc(CCc2ccc(C(=O)OCC)cc2)cc1- InChIKey
BUGQXHPFTVMLSP-UHFFFAOYSA-N- Molecular formula
- C20H22O4
- Average molar mass
- 326.4 g/mol
- Monoisotopic mass
- 326.15180918
Names & identifiers
- Preferred name
- 4,4'-Dimethylenebis(ethyl benzoate)
- IUPAC
- ethyl 4-[2-(4-ethoxycarbonylphenyl)ethyl]benzoate
- English name
- 4,4'-Dimethylenebis(ethyl benzoate)
- Molecular formula
- C20H22O4
- Molecular weight
- 326.39
Names & synonyms
4,4'-DIMETHYLENEBIS(ETHYL BENZOATE)RefChem:506676111977-60-7651-829-5SCHEMBL12199135BUGQXHPFTVMLSP-UHFFFAOYSA-NAKOS024322234diethyl 4,4'-ethane-1,2-diyldibenzoateBenzoic acid, 4,4'-(1,2-ethanediyl)bis-, diethyl esterBenzoic acid, 4,4'-(1,2-ethanediyl)bis-, 1,1'-diethyl ester
Database identifiers
- CAS
111977-60-7- PubChem CID
- 853458
- EC Number
- 651-829-5
- Nikkaji
- J943.976E
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 9
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 352
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical diffusion
Physicochemical properties
- Symbol(GHS)
- 9 · GHS09
- Signal word
- Warning
- Hazard statements
- 410 · H410
- Precautionary statements
- 273 · P273-P391-P501
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
H400 (100%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
P273, P391, 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 CategoriesAquatic Acute 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS09
- Hazard statements
- H410
- Precautionary statements
- P273-P391-P501
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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