Diethyl 2-cyclopenten-1-ylmalonate
Basic information
- CAS
53608-93-8- Standard SMILES
CCOC(=O)C(C(=O)OCC)C1C=CCC1- InChIKey
UAZCLBJEBNSEDV-UHFFFAOYSA-N- Molecular formula
- C12H18O4
- Average molar mass
- 226.27 g/mol
- Monoisotopic mass
- 226.12050905
Names & identifiers
- Preferred name
- Diethyl 2-cyclopenten-1-ylmalonate
- IUPAC
- diethyl 2-cyclopent-2-en-1-ylpropanedioate
- English name
- diethyl 2-cyclopenten-1-ylmalonate
- Molecular formula
- C12H18O4
- Molecular weight
- 226.27
Names & synonyms
Diethyl 2-cyclopenten-1-ylmalonateEINECS 258-661-8AI3-04991DTXSID901180220NSC 59851Propanedioic acid, 2-cyclopenten-1-yl-, diethyl esterPropanedioic acid, 2-(2-cyclopenten-1-yl)-, 1,3-diethyl esterRefChem:587118DTXCID901611564258-661-853608-93-8diethyl 2-(cyclopent-2-en-1-yl)malonate
Show more names
DIETHYL 2-CYCLOPENTENYLMALONATE2-Cyclopentene-1-Malonic acid, diethyl ester2-(2-Cyclopentenyl)malonic acid diethyl ester2-(1-cyclopentenyl)propanedioic acid diethyl ester
diethyl 2-cyclopent-2-en-1-ylpropanedioateNSC59851diethyl 2-(2-cyclopenten-1-yl)malonateSCHEMBL5859549UAZCLBJEBNSEDV-UHFFFAOYSA-NNSC-59851AKOS024323005Diethyl (cyclopent-2-en-1-yl)propanedioate
Database identifiers
- CAS
53608-93-8- PubChem CID
- 96203
- DTXSID
DTXSID901180220- EC Number
- 258-661-8
- Nikkaji
- J22.878H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Boiling point
- 327.88 °C · 327.88°C (rough estimate)
- Density
- 1.0579 · 1.0579
- refractive index
- 1.4536 · 1.4536 (estimate)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesEye Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P
Suppliers
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Related reactions
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Compound notes
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