Ethanone, 1-(2,2,6,6-tetramethyl-4-(3-methylbutoxy)-3-cyclohexen-1-yl)-
Basic information
- CAS
16556-55-1- Standard SMILES
CC(=O)C1C(C)(C)C=C(OCCC(C)C)CC1(C)C- InChIKey
UCXHCWOVLRUIMX-UHFFFAOYSA-N- Molecular formula
- C17H30O2
- Average molar mass
- 266.4 g/mol
- Monoisotopic mass
- 266.2245802
Names & identifiers
- Preferred name
- Ethanone, 1-(2,2,6,6-tetramethyl-4-(3-methylbutoxy)-3-cyclohexen-1-yl)-
- IUPAC
- 1-[2,2,6,6-tetramethyl-4-(3-methylbutoxy)cyclohex-3-en-1-yl]ethanone
- English name
- 1-[2,2,6,6-tetramethyl-4-(3-methylbutoxy)-3-cyclohexen-1-yl]ethan-1-one
- Molecular formula
- C17H30O2
- Molecular weight
- 266.42
Names & synonyms
EINECS 240-623-74-Acetyl-1-(3-methylbutyloxy)-3,3,5,5-tetramethyl-1-cyclohexeneEthanone, 1-[2,2,6,6-tetramethyl-4-(3-methylbutoxy)-3-cyclohexen-1-yl]-DTXSID10864690Ethanone, 1-(2,2,6,6-tetramethyl-4-(3-methylbutoxy)-3-cyclohexen-1-yl)-RefChem:592417DTXCID6081317816556-55-11-[2,2,6,6-TETRAMETHYL-4-(3-METHYLBUTOXY)-3-CYCLOHEXEN-1-YL]ETHAN-1-ONE1-(2,2,6,6-Tetramethyl-4-(3-methylbutoxy)-3-cyclohexen-1-yl)ethan-1-oneUCXHCWOVLRUIMX-UHFFFAOYSA-N1-[2,2,6,6-tetramethyl-4-(3-methylbutoxy)cyclohex-3-en-1-yl]ethanone
Show more names
1-[2,2,6,6-Tetramethyl-4-(3-methylbutoxy)-3-cyclohexenyl]ethanone
SCHEMBL118070311-[2,2,6,6-tetramethyl-4-(3-methylbutoxy)cyclohex-3-en-1-yl]ethan-1-oneDB-287213NS00052305
Database identifiers
- CAS
16556-55-1- PubChem CID
- 86029
- DTXSID
DTXSID10864690- EC Number
- 240-623-7
- Nikkaji
- J318.247I
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 361
Physicochemical properties
- Boiling point
- 106 · 106-108 °C(Press: 0.2 Torr)
- Density
- 0.92 · 0.92±0.1 g/cm3(Predicted)
- EPA Substance Registry System
- 1 · Ethanone, 1-[2,2,6,6-tetramethyl-4-(3-methylbutoxy)-3-cyclohexen-1-yl]- (16556-55-1)
- 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.
Hazard information
Regulatory InformationChemical: Ethanone, 1-[2,2,6,6-tetramethyl-4-(3-methylbutoxy)-3-cyclohexen-1-yl]-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationEthanone, 1-[2,2,6,6-tetramethyl-4-(3-methylbutoxy)-3-cyclohexen-1-yl]-: INACTIVE
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Compound notes
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