Benzene, ((2-methylpropoxy)methyl)-
Basic information
- CAS
940-49-8- Standard SMILES
CC(C)COCc1ccccc1- InChIKey
ADHMUPZYLITZIH-UHFFFAOYSA-N- Molecular formula
- C11H16O
- Average molar mass
- 164.24 g/mol
- Monoisotopic mass
- 164.12011513
Names & identifiers
- Preferred name
- Benzene, ((2-methylpropoxy)methyl)-
- IUPAC
- 2-methylpropoxymethylbenzene
- English name
- alpha-isobutoxytoluene
- Molecular formula
- C11H16O
- Molecular weight
- 164.24
Names & synonyms
Benzene, ((2-methylpropoxy)methyl)-Benzene, [(2-methylpropoxy)methyl]-RefChem:562048alpha-Isobutoxytoluene940-49-8[(2-Methylpropoxy)methyl]benzeneNSC-406202(isobutoxymethyl)benzeneEINECS 213-372-6i-butyl benzyl etherNSC406202benzyl isobutyl ether
Show more names
Isobutylbenzyl ether
AI3-02698DN3UVV5552SCHEMBL1925879SCHEMBL2234953SCHEMBL4055678SCHEMBL4371522SCHEMBL5450319SCHEMBL5604450
Database identifiers
- CAS
940-49-8- PubChem CID
- 70328
- DTXSID
DTXSID10240192- UNII
- DN3UVV5552
- EC Number
- 213-372-6
- Nikkaji
- J298.541A
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 104
Physicochemical properties
- Boiling point
- 212 °C · 212°C (estimate)
- Density
- 0.9233 · 0.9233
- refractive index
- 1.4826 · 1.4826
- FDA UNII
- 3 UVV5552 · DN3UVV5552
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: Benzene, [(2-methylpropoxy)methyl]-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Chemistry & industry
Applications
UsesAlpha-isobutoxytoluene is used in soap perfumes for power, topnote (diffusion) and low cost. It is stable, but needs solid fixation in order to perform properly in soap. It blends excellently with Diphenyloxide and Diphenyl methane, both much higher boiling, and tends to take the harshness out of these chemicals.
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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