6,6-Dimethyloxan-2-one
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Basic information
- CAS
2610-95-9- Standard SMILES
CC1(C)CCCC(=O)O1- InChIKey
NALPFDQXLZMHJD-UHFFFAOYSA-N- Molecular formula
- C7H12O2
- Average molar mass
- 128.17 g/mol
- Monoisotopic mass
- 128.08372962
Names & identifiers
- Preferred name
- 6,6-Dimethyloxan-2-one
- IUPAC
- 6,6-dimethyloxan-2-one
- English name
- 6,6-Dimethyltetrahydro-2H-pyran-2-one
- Molecular formula
- C7H12O2
- Molecular weight
- 128.17
Names & synonyms
6,6-dimethyloxan-2-oneRefChem:538559877-453-32610-95-96,6-Dimethyltetrahydro-2H-pyran-2-one2H-Pyran-2-one, tetrahydro-6,6-dimethyl-5-Methyl-5-hydroxyhexanoic acid lactone5-Methylhexan-5-olideTetrahydro-6,6-dimethyl-2H-pyran-2-oneSCHEMBL494066DTXSID10336781NALPFDQXLZMHJD-UHFFFAOYSA-N
Show more names
6,6-dimethyltetrahydro-2-pyranoneCAA61095AR-1C92596,6-dimethyl-tetrahydro-pyran-2-one6,6-Dimethyltetrahydro-2H-pyran-2-one #DB-086588EN300-212180
Database identifiers
- CAS
2610-95-9- PubChem CID
- 536245
- DTXSID
DTXSID10336781- EC Number
- 877-453-3
- Nikkaji
- J100.654A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 127
Physicochemical properties
- LogP
- 0.833 · 0.833 (est)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
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-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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