Basic information
- CAS
23446-55-1- Standard SMILES
Cc1ccc(OCCC(C)C)cc1- InChIKey
BGMZYLDJORRZMQ-UHFFFAOYSA-N- Molecular formula
- C12H18O
- Average molar mass
- 178.27 g/mol
- Monoisotopic mass
- 178.13576519
Names & identifiers
- Preferred name
- Isopentyl p-tolyl ether
- IUPAC
- 1-methyl-4-(3-methylbutoxy)benzene
- English name
- isopentyl p-tolyl ether
- Molecular formula
- C12H18O
- Molecular weight
- 178.27
Names & synonyms
Isopentyl p-tolyl ether23446-55-1Benzene, 1-methyl-4-(3-methylbutoxy)-EINECS 245-664-4DTXSID3066893RefChem:792045DTXCID3036866245-664-41-methyl-4-(3-methylbutoxy)benzeneSCHEMBL29265344-Methylphenol, 3-methylbutyl etherAKOS009143585
Show more names
1-(isopentyloxy)-4-methylbenzene
DB-285305NS00027419
Database identifiers
- CAS
23446-55-1- PubChem CID
- 90099
- DTXSID
DTXSID3066893- EC Number
- 245-664-4
- Nikkaji
- J228.964D
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 123
Physicochemical properties
- Boiling point
- 240 °C · 240 °C
- Density
- 0.9153 g/cm3 · 0.9153 g/cm3(Temp: 31 °C)
- EPA Substance Registry System
- Isopentyl p-tolyl ether (23446-55-1)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-methyl-4-(3-methylbutoxy)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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