Vinylcyclopentanol
Basic information
- CAS
3859-35-6- Standard SMILES
C=CC1(O)CCCC1- InChIKey
JSQRFMSSEXQLTC-UHFFFAOYSA-N- Molecular formula
- C7H12O
- Average molar mass
- 112.17 g/mol
- Monoisotopic mass
- 112.088815
Names & identifiers
- Preferred name
- Vinylcyclopentanol
- IUPAC
- 1-ethenylcyclopentan-1-ol
- English name
- Cyclopentanol,1-ethenyl-
- Molecular formula
- C7H12O
- Molecular weight
- 112.17
Names & synonyms
3859-35-6vinylcyclopentanolDTXSID70311877RefChem:388360DTXCID902630011-ethenylcyclopentan-1-ol1-vinylcyclopentanol1-Vinylcyclopentanol (contains ~1% Hydroquinone as stabilizer)NSC2461581-ethenylcyclopentanol1-ethenyl-cyclopentanol1-Vinylcyclopentan-1-ol
Show more names
1-vinyl-1-cyclopentanol
SCHEMBL130275SCHEMBL1963252CYCLOPENTANOL,1-ETHENYL-JSQRFMSSEXQLTC-UHFFFAOYSA-NMFCD21232005AKOS014753534NSC-246158SY220920
Database identifiers
- CAS
3859-35-6- PubChem CID
- 317028
- DTXSID
DTXSID70311877- EC Number
- 988-971-5
- Nikkaji
- J524.859K
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 1
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 90.6
Physicochemical properties
- Boiling point
- 57 °C · 57 °C(Press: 13 Torr)
- Density
- 0.9399 g/cm3 · 0.9399 g/cm3
- pka
- 14.56 · 14.56±0.20(Predicted)
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, 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 CategoriesFlam. Liq. 3 (100%)
Chemistry & industry
Applications
Uses1-Vinylcyclopentanol is used in the gold-ligand-catalyzed selective hydrogenation of alkynes into cis-alkenes via h2 heterolytic activation by frustrated Lewis pairs
Upstream & downstream products
Downstream products
Related reactions
5 records
Compound notes
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