2-Ethoxyhexa-3,5-diene
Basic information
- CAS
56752-55-7- Standard SMILES
C=C/C=C/C(C)OCC- InChIKey
IXTXFMUQEVEFFL-VOTSOKGWSA-N- Molecular formula
- C8H14O
- Average molar mass
- 126.2 g/mol
- Monoisotopic mass
- 126.10446507
Overview
2-Ethoxy-hexa-3,5-diene is a metabolite found in or produced by Saccharomyces cerevisiae.
Names & identifiers
- Preferred name
- 2-Ethoxyhexa-3,5-diene
- IUPAC
- (3E)-5-ethoxyhexa-1,3-diene
- English name
- 1,3-Hexadiene, 5-ethoxy-
- Molecular formula
- C8H14O
- Molecular weight
- 126.2
Names & synonyms
2-Ethoxyhexa-3,5-diene(3E)-5-Ethoxyhexa-1,3-diene56752-55-75-Ethoxy-1,3-hexadiene2-ethoxy-3,5-hexadiene3,5-Hexadiene, 2-ethoxy1,3-Hexadiene, 5-ethoxy-SCHEMBL4412809IXTXFMUQEVEFFL-VOTSOKGWSA-N
Database identifiers
- CAS
56752-55-7- PubChem CID
- 5352776
- Nikkaji
- J798.012D
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 94.7
Physicochemical properties
- Boiling point
- 62 · 62-62.5 °C(Press: 77 Torr)
- Density
- 0.808 · 0.808±0.06 g/cm3(Predicted)
- solubility
- Chloroform (Soluble), Methanol (Slightly)
- form
- Oil
- color
- Colourless
- Stability
- Light Sensitive, Volatile
Chemistry & industry
Applications
Uses2-Ethoxyhexa-3,5-diene is used in removal of methoxypyrazines and other compounds from wine by using molecularly imprinted polymers.
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Related reactions
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Compound notes
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