Basic information
- CAS
937-54-2- Standard SMILES
CC(C)OCc1ccccc1- InChIKey
NTUCQKRAQSWLOP-UHFFFAOYSA-N- Molecular formula
- C10H14O
- Average molar mass
- 150.22 g/mol
- Monoisotopic mass
- 150.10446507
Names & identifiers
- Preferred name
- 2-Benzyloxypropane
- IUPAC
- propan-2-yloxymethylbenzene
- English name
- Isopropylbenzyl ether
- Molecular formula
- C10H14O
- Molecular weight
- 150.22
Names & synonyms
2-benzyloxypropane937-54-2DTXSID20324270RefChem:256621DTXCID50275387(isopropoxymethyl)benzene4-Isopropoxymethylbenzene1-Methyl-4-(1-methylethoxy)benzenebenzyl isopropyl etherpropan-2-yloxymethylbenzene4-IsopropoxytolueneNSC406197
Show more names
Isopropylbenzyl etherBenzyl(isopropyl) etherBenzene, [(1-methylethoxy)methyl]-
isopropoxymethylbenzeneIsopropyl p-tolyl etherp-Cresyl isopropyl etherSCHEMBL15003SCHEMBL40338SCHEMBL251489SCHEMBL252046SCHEMBL252163
Database identifiers
- CAS
937-54-2- PubChem CID
- 347490
- DTXSID
DTXSID20324270- Nikkaji
- J1.751E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 93
Physicochemical properties
- Boiling point
- 83 °C · 83.0 °C(Press: 16 Torr)
- Density
- 0.9214 g/cm3 · 0.9214 g/cm3
- solubility
- Insoluble in water, soluble in alcohol and oils.
- form
- Colourless liquid.
- Odor
- Vinous-oily, fruity, relatively refreshing odour of poor tenacity.
Chemistry & industry
Applications
UsesIts pleasant flavour has been utilized outside of the USA (where it is not officially permitted) in various fruit complexes, mainly as a supporting note since Isopropylbenzyl ether is a very stable chemical. It is also used in the type of fruit flavour used in the so-called “wine-gum”, a semi-soft gelatin candy that is usually transparent and flavoured with a winey fruit flavour.
Suppliers1 total
上海臻励生物科技有限公司021-16621358918; 18516310516;16621358918;13045646768 · [email protected]
Related reactions
1 records
Compound notes
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