Basic information
- CAS
2287330-95-2- Standard SMILES
O=C1CC(COCc2ccccc2)C12CCC2- InChIKey
DESNUXHIFVAVJV-UHFFFAOYSA-N- Molecular formula
- C15H18O2
- Average molar mass
- 230.3 g/mol
- Monoisotopic mass
- 230.13067981
Names & identifiers
- Preferred name
- 3-((Benzyloxy)methyl)spiro(3.3)heptan-1-one
- IUPAC
- 1-(phenylmethoxymethyl)spiro[3.3]heptan-3-one
Names & synonyms
2287330-95-23-[(benzyloxy)methyl]spiro[3.3]heptan-1-one3-((Benzyloxy)methyl)spiro[3.3]heptan-1-one3-((Benzyloxy)methyl)spiro(3.3)heptan-1-oneRefChem:488767990-081-71-(Phenylmethoxymethyl)spiro[3.3]heptan-3-oneSCHEMBL31297874MRD33095EN300-6745342
Database identifiers
- CAS
2287330-95-2- PubChem CID
- 137942226
- EC Number
- 990-081-7
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 287
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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