2-[(1,1-Dimethylethyl)dioxy]ethanol
Basic information
- CAS
15476-85-4- Standard SMILES
CC(C)(C)OOCCO- InChIKey
FJAUCWNKOXKMHB-UHFFFAOYSA-N- Molecular formula
- C6H14O3
- Average molar mass
- 134.17 g/mol
- Monoisotopic mass
- 134.0942943
Names & identifiers
- Preferred name
- 2-[(1,1-Dimethylethyl)dioxy]ethanol
- IUPAC
- 2-tert-butylperoxyethanol
- English name
- 2-[(1,1-dimethylethyl)dioxy]ethanol
- Molecular formula
- C6H14O3
- Molecular weight
- 134.17
Names & synonyms
Ethanol, 2-[(1,1-dimethylethyl)dioxy]-tert-Butyl 2-hydroxyethyl peroxideEINECS 239-498-1Ethanol, 2-((1,1-dimethylethyl)dioxy)-DTXSID60658962-[(1,1-DIMETHYLETHYL)DIOXY]ETHANOL2-((1,1-Dimethylethyl)dioxy)ethanolRefChem:249102DTXCID5034983239-498-115476-85-42-tert-butylperoxyethanol
Show more names
2-(tert-Butylperoxy)ethanol
2-(tert-butylperoxy)ethan-1-olETHANOL,2-[(1,1-DIMETHYLETHYL)DIOXY]-2-t-butylperoxyethanolAXB3MH5JHTSCHEMBL3236579FJAUCWNKOXKMHB-UHFFFAOYSA-NNS00051802
Database identifiers
- CAS
15476-85-4- PubChem CID
- 84932
- DTXSID
DTXSID6065896- UNII
- AXB3MH5JHT
- EC Number
- 239-498-1
- Nikkaji
- J317.930C
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 65.2
Physicochemical properties
- Boiling point
- 48 · 48-50 °C(Press: 1 Torr)
- Density
- 0.973 · 0.973±0.06 g/cm3(Predicted)
- pka
- 14.44 · 14.44±0.10(Predicted)
- EPA Substance Registry System
- 2 · Ethanol, 2-[(1,1-dimethylethyl)dioxy]- (15476-85-4)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanol, 2-[(1,1-dimethylethyl)dioxy]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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