Basic information
- CAS
1001-26-9- Standard SMILES
CCOC=CC(=O)OCC- InChIKey
ITQFPVUDTFABDH-UHFFFAOYSA-N- Molecular formula
- C7H12O3
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.07864424
Names & identifiers
- Preferred name
- Ethyl 3-ethoxy-2-propenoate
- IUPAC
- ethyl 3-ethoxyprop-2-enoate
- English name
- Ethyl 3-ethoxyacrylate
- Molecular formula
- C7H12O3
- Molecular weight
- 144.17
Names & synonyms
1001-26-9DTXSID10878994RefChem:1084858DTXCID001017016Ethyl 3-ethoxy-2-propenoateethyl 3-ethoxyprop-2-enoate2-Propenoic acid, 3-ethoxy-, ethyl esterTRANS-ETHYL 3-ETHOXYACRYLATEethyl-3-Ethoxyacrylateethyl 3-ethoxypropenoateEthyl beta-ethoxyacrylateRegadenoson Impurity 61
Show more names
3-ETHOXYACRYLIC ACID ETHYL ESTER(E)-ethyl 3-ethoxyacrylate3-EAENSC 68283-ethoxyacrylateEthyl β-EthoxyacrylateETHYL 3-ETHOXYACRYLATE3-ethoxy-2-propenoic acidthyl 3-ethoxyprop-2-enoate
ethyl 3-ethoxy-2-propenateSCHEMBL94677Ethyl trans-3-ethoxyacrylate,983-ethoxy-acrylic acid ethyl esterbeta-ethoxyacrylic acid ethyl esterSTR05640AKOS025243353DB-018048
Database identifiers
- CAS
1001-26-9- PubChem CID
- 221780
- DTXSID
DTXSID10878994- EC Number
- 600-029-4
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 118
Physicochemical properties
- Boiling point
- 195 · 195-196 °C (lit.)
- Density
- 0.998 g/mL · 0.998 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.446(lit.)
- Flash point
- 169 °F · 169 °F
- storage temp.
- 2 · 2-8°C
- form
- Liquid
- color
- Colorless
- Water Solubility
- soluble
- BRN
- 1721612 · 1721612
- InChI
- InChI=1S/C7H12O3/c1-3-9-6-5-7(8)10-4-2/h5-6H,3-4H2,1-2H3
- InChIKey
- ITQFPVUDTFABDH-UHFFFAOYSA-N
- SMILES
- C(OCC)(=O)C=COCC
- CAS DataBase Reference
- 1001 · 1001-26-9(CAS DataBase Reference)
- FDA UNII
- 67 QB527H · WT67QB527H
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 42 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- F
- 19
- PPE
- Eyeshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 3334
- hs_code
- 29189900
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_note
- Irritant
- safety_code
- 26-24/25
- hazard_class
- 9
- Storage Class
- 10 - Combustible liquids
- target organs
- Respiratory system
- Hazard statements
- H315-H319-H335
Chemistry & industry
Applications
UsesUsed in the preparation of N-[3-(3-Cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethylacetamide.
UsesEthyl 3-Ethoxyacrylate is used in the preparation of N-[3-(3-Cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethylacetamide, a principal impurity of Zaleplon (Z145000).
Upstream & downstream products
Upstream raw materials
Downstream products
Related reactions
23 records
Compound notes
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