Basic information
- CAS
10287-53-3- Standard SMILES
CCOC(=O)c1ccc(N(C)C)cc1- InChIKey
FZUGPQWGEGAKET-UHFFFAOYSA-N- Molecular formula
- C11H15NO2
- Average molar mass
- 193.24 g/mol
- Monoisotopic mass
- 193.11027872
Overview
Parbenate is a benzoate ester that is ethyl benzoate substituted by a dimethylamino group at position 4. It is an ethyl ester, a benzoate ester and a tertiary amino compound.
Names & identifiers
- Preferred name
- Ethyl 4-(dimethylamino)benzoate
- IUPAC
- ethyl 4-(dimethylamino)benzoate
- English name
- Ethyl 4-dimethylaminobenzoate
- Molecular formula
- C11H15NO2
- Molecular weight
- 193.24
Names & synonyms
Ethyl 4-dimethylaminobenzoate10287-53-3ParbenateEthyl 4-(dimethylamino)benzoateKayacure EPABenzoic acid, 4-(dimethylamino)-, ethyl esterGenocure EPDDarocur EBDDTXSID2044763p-Dimethylaminobenzoic acid ethyl ester829S8D3Y0XPL-EDB
Show more names
EDBETHYL P-DIMETHYLAMINOBENZOATEp-DimethylaminobenzoatePI ED8PI-EDBAPi-EDB
DTXCID0024763CHEBI:520734-dimethylaminobenzoic acid ethyl esterRefChem:595408233-634-3N,N-DimethylbenzocaineEthyl-4-dimethylaminobenzoateSpeedcure EDB
Database identifiers
- CAS
10287-53-3- PubChem CID
- 25127
- DTXSID
DTXSID2044763- ChEMBL
CHEMBL3185245- ChEBI
CHEBI:52073- UNII
- 829S8D3Y0X
- EC Number
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 184
Experimental & physicochemical properties
PolymersPlastics & Rubber -> Curing Agents (Aromatic)
CosmeticsPersonal care product
Physical Description
Dry Powder; Other Solid; Large Crystals
White crystalline powder; [Acros Organics MSDS]
Collision Cross Section149.3 Ų [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID2044763]
Physicochemical properties
- Melting point
- 63 · 63-66 °C(lit.)
- Boiling point
- 190 · 190-191°C 14mm
- Density
- 1.06 · 1.06
- vapor pressure
- 0.593 Pa · 0.593Pa at 25℃
- refractive index
- 1.508 · 1.5080 (estimate)
- Flash point
- 190 · 190-191°C/14mm
- storage temp.
- 30 °C · Store below +30°C.
Safety & regulation
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 55.6% (144 of 259) of all reports.
Danger
H360 (18.5%): May damage fertility or the unborn child [Danger Reproductive toxicity]
P203, P273, P280, P318, P391, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 259 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Benzoic acid, 4-(dimethylamino)-, ethyl ester
Benzoic acid, 4-(dimethylamino)-, ethyl ester is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Benzoic acid, 4-(dimethylamino)-, ethyl ester are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 20-01-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/24038
Benzoic acid, 4-(dimethylamino)-, ethyl 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.
Hazards SummaryMay cause irritation; [Acros Organics MSDS]
Hazard Classes and CategoriesRepr. 1B (18.5%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29224995
- risk_code
- 36/37/38
- Signal word
- Danger
Chemistry & industry
Uses & manufacturing
UsesUsed as a polymerization accelerator; [ChemIDplus]
U.S. Production2023: 75,000 - <100,000 lb
Consumer UsesNot Known or Reasonably Ascertainable
Industry UsesNot Known or Reasonably Ascertainable
General Manufacturing Information
Printing Ink Manufacturing
Benzoic acid, 4-(dimethylamino)-, ethyl ester: ACTIVE
Applications
UsesEthyl 4-dimethylaminobenzoate is employed as a photoinititator in cell encapsulation applications. It is also useful for organic synthesis. Further, it is used in UV-curing coatings and inks for the initiation of photo polymerization of unsaturated prepolymers. In addition to this, it acts as a active pharmaceutical ingredient intermediate. It can also be used as a co-initiator with camphorquinone (CQ) to form a self-adhesive composite for the fabrication of photosensitizers in dental materials.
Upstream & downstream products
Upstream raw materials
Related reactions
8 records
Compound notes
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