Cycloundecanone
Basic information
- CAS
878-13-7- Standard SMILES
O=C1CCCCCCCCCC1- InChIKey
UPOSSYJVWXLPTA-UHFFFAOYSA-N- Molecular formula
- C11H20O
- Average molar mass
- 168.28 g/mol
- Monoisotopic mass
- 168.15141526
Overview
structure in first source
Names & identifiers
- Preferred name
- Cycloundecanone
- IUPAC
- cycloundecanone
- English name
- Cycloundecanone
- Molecular formula
- C11H20O
- Molecular weight
- 168.28
Names & synonyms
CYCLOUNDECANONE878-13-78KH5U4Y92LNSC-96907DTXSID00236645RefChem:130035DTXCID30159136212-899-9Cycloundecan-1-onecycloundecanonEINECS 212-899-9Cycloundecanone, 97%
Show more names
OXOCYCLOUNDECANEOXOCYCLOUNDECANE 99%CYCLOUNDECANONE, 99+%
UNII-8KH5U4Y92LSCHEMBL268555NSC96907MFCD00003715NSC 96907AKOS028108385DB-057026NS00043156
Database identifiers
- CAS
878-13-7- PubChem CID
- 13420
- DTXSID
DTXSID00236645- UNII
- 8KH5U4Y92L
- EC Number
- 212-899-9
- Nikkaji
- J80.000G
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 115
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- 9 · 9-10 °C
- Boiling point
- 106 °C/4 · 106 °C/4 mmHg (lit.)
- Density
- 0.898 g/mL · 0.898 g/mL at 25 °C (lit.)
- refractive index
- 20 · n20/D 1.481(lit.)
- Flash point
- 205 °F · 205 °F
- BRN
- 1617293 · 1617293
- InChI
- 1S/C11H20O/c12-11-9-7-5-3-1-2-4-6-8-10-11/h1-10H2
- InChIKey
- UPOSSYJVWXLPTA-UHFFFAOYSA-N
- SMILES
- O=C1CCCCCCCCCC1
- FDA UNII
- 8 KH5U4Y92L · 8KH5U4Y92L
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- PPE
- Eyeshields, Gloves
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
- F
- 8-9-23
- PPE
- Eyeshields, Gloves
- wgk
- 3
- hs_code
- 2914290090
- safety_code
- 23-24/25
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Applications
UsesCycloundecone belongs to the ketone class of compounds and can be used as a pharmaceutical synthesis intermediate.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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