Cyclopent-2-en-1-one-ethyleneacetal
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Basic information
- CAS
695-56-7- Standard SMILES
C1=CC2(CC1)OCCO2- InChIKey
ATFWVBMLTLPOHI-UHFFFAOYSA-N- Molecular formula
- C7H10O2
- Average molar mass
- 126.15 g/mol
- Monoisotopic mass
- 126.06807956
Names & identifiers
- Preferred name
- Cyclopent-2-en-1-one-ethyleneacetal
- IUPAC
- 1,4-dioxaspiro[4.4]non-8-ene
- English name
- 2-Cyclopenten-1-one ethylene ketal
- Molecular formula
- C7H10O2
- Molecular weight
- 126.15
Names & synonyms
Cyclopent-2-en-1-one-ethyleneacetalEINECS 211-783-5DTXSID00219731NSC 160533RefChem:580913DTXCID50142222211-783-51,4-Dioxaspiro[4.4]non-6-ene695-56-72-Cyclopenten-1-one ethylene ketal1,4-dioxaspiro[4.4]non-8-eneMFCD00005408
Show more names
2-Cyclopenten-1-one Ethylene1,4-Dioxaspiro[4.4]nonane-6-ene2-Cyclopenten-1-one ethylene ketal 95%2-Cyclopenten-1-one ethylene ketal,95%
NSC-160533NSC160533cyclopentenone ethyleneketal7RX49FE9Y8SCHEMBL17022242-Cyclopentenone ethylene acetal2-Cyclopenten-1-one ethyleneacetal1,4-dioxa-spiro[4.4]non-6-ene
Database identifiers
- CAS
695-56-7- PubChem CID
- 69668
- DTXSID
DTXSID00219731- UNII
- 7RX49FE9Y8
- EC Number
- 211-783-5
- Nikkaji
- J206.015I、J3.577.591I
Properties
Computed structural propertiesFilling in
- XLogP
- 0.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 134
Physicochemical properties
- Boiling point
- 59 · 59-62 °C/16 mmHg (lit.)
- Density
- 1.067 g/mL · 1.067 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.469(lit.)
- Flash point
- 112 °F · 112 °F
- storage temp.
- 2 · 2-8°C
- form
- liquid
- InChI
- 1S/C7H10O2/c1-2-4-7(3-1)8-5-6-9-7/h1,3H,2,4-6H2
- InChIKey
- ATFWVBMLTLPOHI-UHFFFAOYSA-N
- SMILES
- C1COC2(CCC=C2)O1
- FDA UNII
- 7 RX49FE9Y8 · 7RX49FE9Y8
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
- Hazard statements
- 226 · H226
- Precautionary statements
- 210 · P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
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, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29329900
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 16
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226
- Hazard Classifications
- Flam. Liq. 3
- Precautionary statements
- P210-P233-P240-P241+P242+P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Chemistry & industry
Applications
Uses2-Cyclopenten-1-one ethylene ketal was used in the synthesis of 2,3,3,4,7,7-hexahydro-5-methyl-ind-5-en-1-one ethylene ketal.
Suppliers
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Related reactions
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Compound notes
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