1,3-Bis(dodecyloxy)benzene
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Basic information
- CAS
41662-92-4- Standard SMILES
CCCCCCCCCCCCOc1cccc(OCCCCCCCCCCCC)c1- InChIKey
JYTIZSQDKOCWQI-UHFFFAOYSA-N- Molecular formula
- C30H54O2
- Average molar mass
- 446.7 g/mol
- Monoisotopic mass
- 446.41238096
Names & identifiers
- Preferred name
- 1,3-Bis(dodecyloxy)benzene
- IUPAC
- 1,3-didodecoxybenzene
- English name
- 1,3-Bis(dodecyloxy)benzene
- Molecular formula
- C30H54O2
- Molecular weight
- 446.75
Names & synonyms
1,3-bis(dodecyloxy)benzene41662-92-41,3-didodecoxybenzeneMFCD300631881-(3-dodecoxyphenoxy)dodecaneC30H54O2NSC14755413-Bis(dodecyloxy)benzeneSCHEMBL1451108SCHEMBL1451918SCHEMBL1452222SCHEMBL16699620
Show more names
Benzene, 1,3-bis(dodecyloxy)-
DTXSID40301942AKOS027250621NSC-147554DS-13357SY316743DB-161896CS-0161858D83140
Database identifiers
- CAS
41662-92-4- PubChem CID
- 287501
- DTXSID
DTXSID40301942
Properties
Computed structural propertiesFilling in
- XLogP
- 13
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 24
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 325
Physicochemical properties
- Boiling point
- 531.9 · 531.9±23.0 °C(Predicted)
- Density
- 0.892 · 0.892±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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