1-Methoxyheptane
Basic information
- CAS
629-32-3- Standard SMILES
CCCCCCCOC- InChIKey
GTQXEQRIVGXSAE-UHFFFAOYSA-N- Molecular formula
- C8H18O
- Average molar mass
- 130.23 g/mol
- Monoisotopic mass
- 130.13576519
Names & identifiers
- Preferred name
- 1-Methoxyheptane
- IUPAC
- 1-methoxyheptane
- English name
- METHYLHEPTYLETHER
- Molecular formula
- C8H18O
- Molecular weight
- 130.23
Names & synonyms
1-methoxyheptane629-32-3DTXSID90334841RefChem:1055707DTXCID402859301-methoxy-heptaneMethyl-heptyl-atherSCHEMBL63177SCHEMBL63178SCHEMBL65782SCHEMBL65783SCHEMBL2909936
Show more names
METHYLHEPTYLETHERHeptane, 1-methoxy-
SCHEMBL4258960SCHEMBL4343364SCHEMBL4865827SCHEMBL5161804SCHEMBL8628582SCHEMBL11645833AKOS006230259Q3333698
Database identifiers
- CAS
629-32-3- PubChem CID
- 522076
- DTXSID
DTXSID90334841- Nikkaji
- J96.142F
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 6
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 43.8
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Melting point
- -94 °C · -94°C (estimate)
- Boiling point
- 140.96 °C · 140.96°C (estimate)
- Density
- 0.7862 · 0.7862
- refractive index
- 1.4073 · 1.4073
- form
- oily liquid
- color
- Colorless
Chemistry & industry
Applications
UsesMethylheptylether has found a little use in perfumery as a modifier in fresh-green notes, particularly in topnote compositions for herbaceous or green-floral fragrances types. It blends favorably with Lavender, Bayberry-notes, Fougeres, etc. and it can be blended into Apple-type bases or compositions. It has the advantage of being quite powerful and stable in soap or powders, but it requires solid fixation.
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Compound notes
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