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Basic information
- CAS
1001-26-9- Standard SMILES
CCO/C=C/C(=O)OCC- InChIKey
ITQFPVUDTFABDH-AATRIKPKSA-N- Molecular formula
- C7H12O3
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.07864424
Overview
See also: Ethyl 3-ethoxy-2-propenoate (annotation moved to).
Names & identifiers
- Preferred name
- Ethyl (2E)-3-ethoxy-2-propenoate
- IUPAC
- ethyl (E)-3-ethoxyprop-2-enoate
- English name
- Ethyl 3-ethoxyacrylate
- Molecular formula
- C7H12O3
- Molecular weight
- 144.17
Names & synonyms
5941-55-9DTXSID601301798Ethyl (2E)-3-ethoxy-2-propenoateRefChem:1084662DTXCID801033296Ethyl 3-ethoxyacrylate(E)-ethyl 3-ethoxyacrylateethyl (E)-3-ethoxyacrylate3-Ethoxyacrylic acid ethyl esterEthyl Trans-3-Ethoxyacrylateethyl (E)-3-ethoxyprop-2-enoateMFCD00009863
Show more names
3-EAENSC 68283-ethoxyacrylateEthyl β-EthoxyacrylateRegadenoson Impurity 613-ethoxy-2-propenoic acidthyl 3-ethoxyprop-2-enoate
ethyl (2E)-3-ethoxyprop-2-enoateEthyl .beta.-ethoxyacrylateEthyl 3 ethyoxy-2-propenoateETHYL TRANS-3-ETHOXYACRYLATE, 982-Propenoic acid, 3-ethoxy-, ethyl esterAcrylic acid, 3-ethoxy-, ethyl esterWT67QB527HNSC-6828
Database identifiers
- CAS
1001-26-9、5941-55-9- PubChem CID
- 5366269
- DTXSID
DTXSID601301798
Properties
Computed structural propertiesFilling in
- 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
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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Hazard information
Regulatory InformationStatus: Active Update: 15-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/24819
Hazard Classes and Categories
Skin Irrit. 2 (100%)
Skin 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
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
4 records
Compound notes
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