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Ethyl 4-dimethylaminobenzoate structure
Ethyl 4-dimethylaminobenzoate structure

Ethyl 4-dimethylaminobenzoate

Iupac Name:ethyl 4-(dimethylamino)benzoate
CAS No.: 10287-53-3
Molecular Weight:193.246
Modify Date.: 2022-10-26 08:31
Introduction: white crystalline powderChEBI: A benzoate ester that is ethyl benzoate substituted by a dimethylamino group at position 4. View more+
1. Names and Identifiers
1.1 Name
Ethyl 4-dimethylaminobenzoate
1.2 Synonyms

4-(Dimethylamino)benzoic Acid Ethyl Ester 4-(N,N-Dimethylamino)benzoic acid ethyl ester 4-DIMETHYLAMINOBENZOIC ACID ETHYL ESTER Benzoic acid, 4-(dimethylamino)-, ethyl ester Benzoic acid, p-(dimethylamino)-, ethyl ester EINECS 233-634-3 Ethyl 4-(dimethylamino)benzoate ETHYL 4-(N,N-DIMETHYLAMINO)BENZOATE ETHYL P-(N,N-DIMETHYLAMINO) BENZOATE ETHYL P-DIMETHYLAMINOBENZOATE Ethyl-4-(dimethylamino)benzolcarboxylat Ethyl-4-dimethylaminobenzoate MFCD00009115 parbenate RARECHEM AL BI 0079 SPEEDCURE EDB

1.3 CAS No.
10287-53-3
1.4 CID
25127
1.5 EINECS(EC#)
233-634-3
1.6 Molecular Formula
C11H15NO2 (isomer)
1.7 Inchi
InChI=1S/C11H15NO2/c1-4-14-11(13)9-5-7-10(8-6-9)12(2)3/h5-8H,4H2,1-3H3
1.8 InChkey
FZUGPQWGEGAKET-UHFFFAOYSA-N
1.9 Canonical Smiles
CCOC(=O)C1=CC=C(C=C1)N(C)C
1.10 Isomers Smiles
CCOC(=O)C1=CC=C(C=C1)N(C)C
2. Properties
2.1 Density
1.061
2.1 Melting point
62-65℃
2.1 Boiling point
190-191°C 14mm,296.5 °C at 760 mmHg
2.1 Refractive index
1.5353 (100 C)
2.1 Flash Point
115 °C
2.1 Precise Quality
193.11000
2.1 PSA
29.54000
2.1 logP
1.92930
2.1 Appearance
White Crystal Powder
2.2 Storage
Ambient temperatures.
2.3 Chemical Properties
white crystalline powder
2.4 Color/Form
White to pale yellow
2.5 pKa
2.56±0.12(Predicted)
2.6 Water Solubility
insoluble
2.7 Stability
Stable. Incompatible with reducing agents, oxidizing agents, bases, acids.
2.8 StorageTemp
Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
3. Use and Manufacturing
3.1 Definition
ChEBI: A benzoate ester that is ethyl benzoate substituted by a dimethylamino group at position 4. Ethyl 4-dimethylaminobenzoateSupplier
3.2 GHS Classification
Signal: Danger
GHS Hazard Statements
Aggregated GHS information provided by 118 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Reported as not meeting GHS hazard criteria by 113 of 118 companies. For more detailed information, please visit ECHA C&L website

Of the 2 notification(s) provided by 5 of 118 companies with hazard statement code(s):

H302 (60%): Harmful if swallowed [Warning Acute toxicity, oral]
H360 (40%): May damage fertility or the unborn child [Danger Reproductive toxicity]
H411 (100%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown.

Precautionary Statement Codes
P201, P202, P264, P270, P273, P281, P301+P312, P308+P313, P330, P391, P405, and P501
4. Safety and Handling
4.1 Hazard Codes
Xi
4.1 Risk Statements
R36/37/38
4.1 Safety Statements
S26;S37/39
4.1 RIDADR
NONH for all modes of transport
4.1 WGK Germany
3
5. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

7. Other Information
7.0 Usage
Ethyl 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.
7.1 BRN
2210233
7.2 Chemical Properties
white crystalline powder
7.3 Definition
ChEBI: A benzoate ester that is ethyl benzoate substituted by a dimethylamino group at position 4.
8. Computational chemical data
  • Molecular Weight: 193.246g/mol
  • Molecular Formula: C11H15NO2
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 193.110278721
  • Monoisotopic Mass: 193.110278721
  • Complexity: 184
  • Rotatable Bond Count: 4
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Topological Polar Surface Area: 29.5
  • Heavy Atom Count: 14
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADccByMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAAAAAADAihmAYyyIMABACIAiTSSACCAAAlAgAIiAEIbMgIJjLAtZmGMQhkwAFI6YeY2SOeCAAAAAAAAAAQAAAAAAAAAAAAAAAAAA==
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