Basic information
- CAS
110674-74-3- Standard SMILES
O=C1CCC2(CCO1)OCCO2- InChIKey
JTSACWLMMPZTEH-UHFFFAOYSA-N- Molecular formula
- C8H12O4
- Average molar mass
- 172.18 g/mol
- Monoisotopic mass
- 172.07355886
Names & identifiers
- Preferred name
- 1,4,8-Trioxaspiro(4.6)undecan-9-one
- IUPAC
- 1,4,9-trioxaspiro[4.6]undecan-8-one
Names & synonyms
1,4,8-Trioxaspiro[4.6]undecan-9-one110674-74-3DTXSID003279411,4,8-Trioxaspiro(4.6)undecan-9-oneRefChem:1053137DTXCID002790521,4,9-trioxaspiro[4.6]undecan-8-oneNSC705169SCHEMBL847110CHEMBL2001859NSC-705169NCI60_037580
Show more names
DB-180536H39627
Database identifiers
- CAS
110674-74-3- PubChem CID
- 397423
- DTXSID
DTXSID00327941- ChEMBL
CHEMBL2001859- EC Number
- 185-500-8
- Nikkaji
- J827.809A
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 44.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 183
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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