Basic information
- CAS
68139-00-4- Standard SMILES
CC(C)=CCCC1(C)OCCC(C)O1- InChIKey
CUALKFUPFIXKCZ-UHFFFAOYSA-N- Molecular formula
- C12H22O2
- Average molar mass
- 198.3 g/mol
- Monoisotopic mass
- 198.16197994
Names & identifiers
- Preferred name
- 1,3-Dioxane, 2,4-dimethyl-2-(4-methyl-3-penten-1-yl)-
- IUPAC
- 2,4-dimethyl-2-(4-methylpent-3-enyl)-1,3-dioxane
- English name
- 2,4-dimethyl-2-(4-methyl-3-pentenyl)-1,3-dioxane
- Molecular formula
- C12H22O2
- Molecular weight
- 198.3
Names & synonyms
1,3-Dioxane, 2,4-dimethyl-2-(4-methyl-3-pentenyl)-EINECS 268-759-21,3-Dioxane, 2,4-dimethyl-2-(4-methyl-3-penten-1-yl)-DTXSID80887199NSC 46276RefChem:414733DTXCID90102650968139-00-42,4-Dimethyl-2-(4-methyl-3-pentenyl)-1,3-dioxaneNSC46276SCHEMBL10827449CUALKFUPFIXKCZ-UHFFFAOYSA-N
Show more names
2,4-DIMETHYL-2-(4-METHYLPENT-3-EN-1-YL)-1,3-DIOXANENSC-46276NS00064298
Database identifiers
- CAS
68139-00-4- PubChem CID
- 97843
- DTXSID
DTXSID80887199- EC Number
- 268-759-2
- Nikkaji
- J334.071F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 206
Physicochemical properties
- Boiling point
- 246.7 · 246.7±15.0 °C(Predicted)
- Density
- 0.885 · 0.885±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 1 · 1,3-Dioxane, 2,4-dimethyl-2-(4-methyl-3-pentenyl)- (68139-00-4)
- 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.
Hazard information
Regulatory InformationChemical: 1,3-Dioxane, 2,4-dimethyl-2-(4-methyl-3-pentenyl)-
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 Information1,3-Dioxane, 2,4-dimethyl-2-(4-methyl-3-penten-1-yl)-: INACTIVE
Suppliers1 total
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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