Basic information
- CAS
18272-71-4- Standard SMILES
CCC(C)c1ccccc1OC- InChIKey
XGEOZYQKQHPUFZ-UHFFFAOYSA-N- Molecular formula
- C11H16O
- Average molar mass
- 164.24 g/mol
- Monoisotopic mass
- 164.12011513
Names & identifiers
- Preferred name
- Benzene, 1-methoxy-2-(1-methylpropyl)-
- IUPAC
- 1-butan-2-yl-2-methoxybenzene
- English name
- o-sec-Butylanisole
- Molecular formula
- C11H16O
- Molecular weight
- 164.24
Names & synonyms
Benzene, 1-methoxy-2-(1-methylpropyl)-18272-71-4DTXSID90885020RefChem:562504DTXCID5010244321-butan-2-yl-2-methoxybenzeneo-(sec-Butyl)anisole1-(butan-2-yl)-2-methoxybenzeneSCHEMBL2118318SCHEMBL3095253SCHEMBL6679628SCHEMBL11619813
Show more names
o-sec-Butylanisole1-Methoxy-2-sec-butylbenzene
SCHEMBL19314294AKOS024437726
Database identifiers
- CAS
18272-71-4- PubChem CID
- 86695
- DTXSID
DTXSID90885020- Nikkaji
- J284.003K
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 122
Physicochemical properties
- Boiling point
- 76.5 · 76.5-78.5 °C(Press: 5 Torr)
- Density
- 0.9435 g/cm3 · 0.9435 g/cm3
- EPA Substance Registry System
- 1 · Benzene, 1-methoxy-2-(1-methylpropyl)- (18272-71-4)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, 1-methoxy-2-(1-methylpropyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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