CAS 22627-70-9 3-Ethoxycyclopent-2-en-1-one (HCID 89777)

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Basic information

CAS: 22627-70-9
Standard SMILES: CCOC1=CC(=O)CC1
InChIKey: SUQNVCCJLBQVEI-UHFFFAOYSA-N
Molecular formula: C7H10O2
Average molar mass: 126.15 g/mol
Monoisotopic mass: 126.06807956

Names & identifiers

Preferred name: 3-Ethoxycyclopent-2-en-1-one
IUPAC: 3-ethoxycyclopent-2-en-1-one
English name: 3-Ethoxy-2-cyclopenten-1-one
Molecular formula: C7H10O2
Molecular weight: 126.15

Names & synonyms

3-Ethoxycyclopent-2-en-1-one22627-70-93-ethoxy-2-cyclopenten-1-oneEINECS 245-138-4DTXSID00177165RefChem:501213DTXCID5099656245-138-43-Ethoxy-2-cyclopentenone3-ethoxycyclopent-2-enone2-Cyclopenten-1-one, 3-ethoxy-MFCD00042963

Show more names

3-Ethoxy Cyclopent-Exone

3-ethoxy-2-cyclopenten-1-on3-Ethoxy-2-cyclopenten-1-one; 1-Ethoxy-1-cyclopenten-3-one; 3-Ethoxy-2-cyclopentenone; 3-Ethoxycyclopent-2-en-1-one3-ethoxycyclopentenone3-ethoxy cyclopentenone3-Ethoxy-cyclopent-2-enoneSCHEMBL10218593-Ethoxy-2-cyclopentenone 98%3-Ethoxy-2-cyclopentenone, 98%

Database identifiers

CAS: 22627-70-9
PubChem CID: 89777
DTXSID: DTXSID00177165
EC Number: 245-138-4
Nikkaji: J286.265D

Properties

Computed structural properties

XLogP: 0.6
Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 9
Formal charge: 0
Complexity: 147

Physicochemical properties

Boiling point: 60 · 60-63 °C/0.3 mmHg (lit.)
Density: 1.062 g/mL · 1.062 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.492(lit.)
Flash point: 230 °F · >230 °F
storage temp.: Refrigerator
solubility: Chloroform (Sparingly), Methanol (Sparingly)
form: Oil
color: Clear Pale Yellow
BRN: 2041482 · 2041482
InChI: 1S/C7H10O2/c1-2-9-7-4-3-6(8)5-7/h5H,2-4H2,1H3
InChIKey: SUQNVCCJLBQVEI-UHFFFAOYSA-N
SMILES: CCOC1=CC(=O)CC1
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements

Safety & regulation

GHS classification

GHS Classification · 4 items

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)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves
wgk: 3
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 10 - Combustible liquids
Hazard statements: H302-H315-H319-H335
Precautionary statements: P231-P261-P301+P312-P302+P352-P304+P340-P305+P351+P338

Chemistry & industry

Applications · 2 items

Uses3-Ethoxy-2-cyclopentenone (3-Ethoxy-2-cyclopenten-1-one) may be used as a starting material in the synthesis of the following:allylic cyclopentenyl alcohols like 2-cyclopentenol, 3-methyl-2-cyclopentenol and 3-methoxymethaoxymethyl-2-cyclopentenol3-aminocyclopent-2-en-1-one(E)-5-(((2S*,3S*)-3-((benzyloxy)methyl)oxiran-2- yl)methylene)-3-ethoxycyclopent-2-enone, an γ,δ -epoxy-α,β-unsaturated cyclic enone

General Description3-Ethoxy-2-cyclopentenone (3-Ethoxy-2-cyclopenten-1-one, 3-Ethoxycyclopentenone) is a cyclic β-alkoxy α,β-unsaturated ketone. Its manganese(III) acetate based tandem oxidation has been investigated. Its various physical properties such as density, refractive index and boiling point have been reported.