Basic information
- CAS
19900-85-7- Standard SMILES
CCCCC(CC)COC(OCC(CC)CCCC)C(C)C- InChIKey
BCZAQIZGCCZLOA-UHFFFAOYSA-N- Molecular formula
- C20H42O2
- Average molar mass
- 314.5 g/mol
- Monoisotopic mass
- 314.31848058
Names & identifiers
- Preferred name
- 1,1'-(Isobutylidenebis(oxy))bis(2-ethylhexane)
- IUPAC
- 3-[[1-(2-ethylhexoxy)-2-methylpropoxy]methyl]heptane
- English name
- 1,1'-[isobutylidenebis(oxy)]bis[2-ethylhexane]
- Molecular formula
- C20H42O2
- Molecular weight
- 314.55
Names & synonyms
1,1'-[Isobutylidenebis(oxy)]bis[2-ethylhexane]EINECS 243-422-21,1'-(Isobutylidenebis(oxy))bis(2-ethylhexane)RefChem:409123243-422-219900-85-73-[[1-(2-ethylhexoxy)-2-methylpropoxy]methyl]heptane3-({1-[(2-ethylhexyl)oxy]-2-methylpropoxy}methyl)heptaneSCHEMBL6683323DTXSID80941780BCZAQIZGCCZLOA-UHFFFAOYSA-NNS00047304
Show more names
Isobutyraldehyde 2-ethylhexylacetal1,1-bis-(2-ethyl-hexyloxy)-2-methyl-propane1,1′-[Isobutylidenbis(oxy)]bis[2-ethylhexan]1,1'-[(2-Methylpropylidene)bisoxy]bis(2-ethylhexane)Heptane, 3-[[1-[(2-ethylhexyl)oxy]-2-methylpropoxy]methyl]-
Database identifiers
- CAS
19900-85-7- PubChem CID
- 89243
- DTXSID
DTXSID80941780- EC Number
Properties
Computed structural properties
- XLogP
- 7.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 15
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 361.4 · 361.4±15.0 °C(Predicted)
- Density
- 0.843 · 0.843±0.06 g/cm3(Predicted)
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 ClassificationNot Classified
Hazard information
Hazard Classes and CategoriesNot Classified
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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