Spiro[5.5]undecan-3-one
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Basic information
- CAS
1890-25-1- Standard SMILES
O=C1CCC2(CCCCC2)CC1- InChIKey
QIPAUQVWJAXYOQ-UHFFFAOYSA-N- Molecular formula
- C11H18O
- Average molar mass
- 166.26 g/mol
- Monoisotopic mass
- 166.13576519
Names & identifiers
- Preferred name
- Spiro[5.5]undecan-3-one
- IUPAC
- spiro[5.5]undecan-3-one
- English name
- Spiro[5.5]undeca-3-one
- Molecular formula
- C11H18O
- Molecular weight
- 166.26
Names & synonyms
Spiro[5.5]undecan-3-one1890-25-1spiro(5.5)undecan-3-oneDTXSID80341589RefChem:380904DTXCID50292670836-691-8QIPAUQVWJAXYOQ-UHFFFAOYSA-NSpiro[5.5]undeca-3-oneMFCD00034664spiro[5,5]undecane-3-onespiro[5.5]undecan-3-on
Show more names
spiro[5.5]-3-decamonone
spiro[5.5]-undecan-3-oneSCHEMBL515266AKOS016001387SB34681AS-46658SY144849DB-361550CS-0149619
Database identifiers
- CAS
1890-25-1- PubChem CID
- 574172
- DTXSID
DTXSID80341589- EC Number
- 836-691-8
- Nikkaji
- J100.226K
Properties
Computed structural propertiesFilling in
- XLogP
- 3
- 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
- 165
Physicochemical properties
- Boiling point
- 135 · 135-140 °C(Press: 14 Torr)
- Density
- 0.97 · 0.97±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- Appearance
- Colorless to light yellow Liquid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-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
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)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
11 records
Compound notes
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