Basic information
- CAS
4722-68-3- Standard SMILES
CC1COC2(CCCCC2)O1- InChIKey
LKGNKCNAPNUZCM-UHFFFAOYSA-N- Molecular formula
- C9H16O2
- Average molar mass
- 156.22 g/mol
- Monoisotopic mass
- 156.11502975
Names & identifiers
- Preferred name
- 1,4-Dioxaspiro[4.5]decane, 2-methyl-
- IUPAC
- 3-methyl-1,4-dioxaspiro[4.5]decane
- English name
- 2-methyl-1,4-dioxaspiro[4.5]decane
- Molecular formula
- C9H16O2
- Molecular weight
- 156.22
Names & synonyms
2-Methyl-1,4-dioxaspiro[4.5]decane4722-68-3Cyclohexanone, cyclic propylene acetalNSC 8213EINECS 225-213-82-Methyl-1,4-dioxaspiro(4.5)decaneBRN 01060311,4-Dioxaspiro[4.5]decane, 2-methyl-AI3-163591,4-DIOXASPIRO(4.5)DECANE, 2-METHYL-DTXSID608841064-19-00-00136 (Beilstein Handbook Reference)
Show more names
RefChem:220765DTXCID801023576225-213-83-methyl-1,4-dioxaspiro[4.5]decaneNSC82134-Methyl-2,2-Pentamethylene-1,3-DioxolaneSCHEMBL247443SCHEMBL3305308
Database identifiers
- CAS
4722-68-3- PubChem CID
- 20845
- DTXSID
DTXSID60884106- EC Number
- 225-213-8
- Nikkaji
- J42.121I
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 138
Physicochemical properties
- Melting point
- 182 · 182-186 °C
- Boiling point
- 220.47 °C · 220.47°C (rough estimate)
- Density
- 0.9188 · 0.9188 (rough estimate)
- refractive index
- 1.435 · 1.4350 (estimate)
- EPA Substance Registry System
- 1 · 1,4-Dioxaspiro[4.5]decane, 2-methyl- (4722-68-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- TSCA
- TSCA listed
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: 1,4-Dioxaspiro[4.5]decane, 2-methyl-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1,4-Dioxaspiro[4.5]decane, 2-methyl-: INACTIVE
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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