Benzoic acid, 2-(4-chlorobenzoyl)-, 2-[2-[(1-oxo-2-propen-1-yl)oxy]ethoxy]ethyl ester
Basic information
- CAS
82168-34-1- Standard SMILES
C=CC(=O)OCCOCCOC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1- InChIKey
KBWZQMFOIHPJGO-UHFFFAOYSA-N- Molecular formula
- C21H19ClO6
- Average molar mass
- 402.8 g/mol
- Monoisotopic mass
- 402.087016
Names & identifiers
- Preferred name
- Benzoic acid, 2-(4-chlorobenzoyl)-, 2-[2-[(1-oxo-2-propen-1-yl)oxy]ethoxy]ethyl ester
- IUPAC
- 2-(2-prop-2-enoyloxyethoxy)ethyl 2-(4-chlorobenzoyl)benzoate
- English name
- 2-[2-[(1-oxo-2-propenyl)oxy]ethoxy]ethyl 2-(4-chlorobenzoyl)benzoate
- Molecular formula
- C21H19ClO6
- Molecular weight
- 402.82496
Names & synonyms
EINECS 279-910-72-[2-[(1-oxo-2-propenyl)oxy]ethoxy]ethyl 2-(4-chlorobenzoyl)benzoateDTXSID108885932-(2-((1-Oxo-2-propenyl)oxy)ethoxy)ethyl 2-(4-chlorobenzoyl)benzoateBenzoic acid, 2-(4-chlorobenzoyl)-, 2-(2-((1-oxo-2-propen-1-yl)oxy)ethoxy)ethyl esterBenzoic acid, 2-(4-chlorobenzoyl)-, 2-(2-((1-oxo-2-propenyl)oxy)ethoxy)ethyl esterBenzoic acid, 2-(4-chlorobenzoyl)-, 2-[2-[(1-oxo-2-propenyl)oxy]ethoxy]ethyl esterBenzoic acid, 2-(4-chlorobenzoyl)-, 2-[2-[(1-oxo-2-propen-1-yl)oxy]ethoxy]ethyl esterRefChem:565423DTXCID401027869Benzoic acid, 2-(4-chlorobenzoyl)-, 2-2-(1-oxo-2-propenyl)oxyethoxyethyl ester279-910-7
Show more names
2-(4-Chlorobenzoyl)benzoic acid 2-[2-[(1-oxo-2-propenyl)oxy]ethoxy]ethyl ester
82168-34-1SCHEMBL279022KBWZQMFOIHPJGO-UHFFFAOYSA-NNS000603482-{2-[(Prop-2-enoyl)oxy]ethoxy}ethyl 2-(4-chlorobenzoyl)benzoate
Database identifiers
- CAS
82168-34-1- PubChem CID
- 174256
- DTXSID
DTXSID10888593- EC Number
- 279-910-7
- Nikkaji
- J320.376J
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 78.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 12
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 541
Physicochemical properties
- EPA Substance Registry System
- 2 · Benzoic acid, 2-(4-chlorobenzoyl)-, 2-[2-[(1-oxo-2-propenyl)oxy]ethoxy]ethyl ester (82168-34-1)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
- TSCA
- TSCA listed
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 71 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory Information
Chemical: Benzoic acid, 2-(4-chlorobenzoyl)-, 2-[2-[(1-oxo-2-propenyl)oxy]ethoxy]ethyl ester
Benzoic acid, 2-(4-chlorobenzoyl)-, 2-2-(1-oxo-2-propenyl)oxyethoxyethyl ester: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzoic acid, 2-(4-chlorobenzoyl)-, 2-[2-[(1-oxo-2-propen-1-yl)oxy]ethoxy]ethyl ester: ACTIVE
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Related reactions
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Compound notes
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