Basic information
- CAS
72894-13-4- Standard SMILES
COC(CC(C)CC(C)(C)C)OC- InChIKey
OKMANJUJOSTZGX-UHFFFAOYSA-N- Molecular formula
- C11H24O2
- Average molar mass
- 188.31 g/mol
- Monoisotopic mass
- 188.17763
Names & identifiers
- Preferred name
- Hexane, 1,1-dimethoxy-3,5,5-trimethyl-
- IUPAC
- 1,1-dimethoxy-3,5,5-trimethylhexane
Names & synonyms
1,1-Dimethoxy-3,5,5-trimethylhexane72894-13-4Isononanal dimethyl acetalHexane, 1,1-dimethoxy-3,5,5-trimethyl-EINECS 276-964-3DTXSID70888231RefChem:786289DTXCID301027511276-964-3Alpinal dimethyl acetalSCHEMBL9156371OKMANJUJOSTZGX-UHFFFAOYSA-N
Show more names
AKOS006276754NS00061539
Database identifiers
- CAS
72894-13-4- PubChem CID
- 166344
- DTXSID
DTXSID70888231- EC Number
- 276-964-3
- Nikkaji
- J260.920G
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 123
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, 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
Regulatory InformationHexane, 1,1-dimethoxy-3,5,5-trimethyl-: Does not have an individual approval but may be used under an appropriate group standard
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationHexane, 1,1-dimethoxy-3,5,5-trimethyl-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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