Ethyl 2-acetoxybenzoate
Basic information
- CAS
529-68-0- Standard SMILES
CCOC(=O)c1ccccc1OC(C)=O- InChIKey
UYDSGXAKLVZWIJ-UHFFFAOYSA-N- Molecular formula
- C11H12O4
- Average molar mass
- 208.21 g/mol
- Monoisotopic mass
- 208.07355886
Names & identifiers
- Preferred name
- Ethyl 2-acetoxybenzoate
- IUPAC
- ethyl 2-acetyloxybenzoate
- English name
- Ethyl 2-acetoxybenzoate
- Molecular formula
- C11H12O4
- Molecular weight
- 208.21
Names & synonyms
Ethyl 2-acetoxybenzoate529-68-0ETHYL ACETYLSALICYLATEVX19C5613TDTXSID60200948RefChem:1084783DTXCID90123439208-467-4ethyl 2-acetyloxybenzoateAcetylsalicylic Acid Ethyl Esterethyl 2-(acetyloxy)benzoateMFCD00026824
Show more names
Aspirin Impurity 18Ethyl Acetylsalicylate >ACETYLSALICYLIC ACID ETHYL ESTER2-(Acetyloxy)benzoic acid ethyl esterBenzoic acid, 2-(acetyloxy)-, ethyl ester
UNII-VX19C5613TEINECS 208-467-4AI3-050032-Acetoxybenzoic Acid Ethyl EsterAS-57969CS-0327062Q27292061Ethyl O-acetylsalicylate
Database identifiers
- CAS
529-68-0- PubChem CID
- 10728
- DTXSID
DTXSID60200948- UNII
- VX19C5613T
- EC Number
- 208-467-4
- Nikkaji
- J6.690G
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 237
Physicochemical properties
- Melting point
- 70 · 70-71 °C
- Boiling point
- 278 · 278-279 °C(lit.)
- Density
- 1.158 g/mL · 1.158 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.506(lit.)
- Flash point
- 230 °F · >230 °F
- storage temp.
- 2 · 2-8°C
- form
- clear liquid
- color
- Colorless to Yellow to Green
- Water Solubility
- 3.32 g/L · 3.32g/L(37 ºC)
- InChI
- InChI=1S/C11H12O4/c1-3-14-11(13)9-6-4-5-7-10(9)15-8(2)12/h4-7H,3H2,1-2H3
- InChIKey
- UYDSGXAKLVZWIJ-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)C1=CC=CC=C1OC(C)=O
- FDA UNII
- 19 C5613T · VX19C5613T
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- PPE
- Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2918.23.5000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Storage Class
- 12 - Non Combustible Liquids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P280-P301+P312-P302+P352-P305+P351+P338
Chemistry & industry
Applications
UsesEthyl 2-acetoxybenzoate can be synthesized by reacting ethyl salicylate and acetic anhydride in the presence of zeolite Hβ. It can also be obtained from the reaction between acetylsalicyloyl chloride (in pyridine) with ethanol.
General DescriptionEthyl 2-acetoxybenzoate can be synthesized by reacting ethyl salicylate and acetic anhydride in the presence of zeolite Hβ. It can also be obtained from the reaction between acetylsalicyloyl chloride (in pyridine) with ethanol.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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