2,6-Octadiene, 1-(1-ethoxyethoxy)-3,7-dimethyl-, (2Z)-
Basic information
- CAS
68555-64-6- Standard SMILES
CCOC(C)OC/C=C(/C)CCC=C(C)C- InChIKey
XJMAAOIVFHDJAK-RAXLEYEMSA-N- Molecular formula
- C14H26O2
- Average molar mass
- 226.35 g/mol
- Monoisotopic mass
- 226.19328007
Names & identifiers
- Preferred name
- 2,6-Octadiene, 1-(1-ethoxyethoxy)-3,7-dimethyl-, (2Z)-
- IUPAC
- (2Z)-1-(1-ethoxyethoxy)-3,7-dimethylocta-2,6-diene
- English name
- (Z)-1-(1-ethoxyethoxy)-3,7-dimethylocta-2,6-diene
- Molecular formula
- C14H26O2
- Molecular weight
- 226.35504
Names & synonyms
Nerol ethyl acetalEINECS 271-441-62,6-Octadiene, 1-(1-ethoxyethoxy)-3,7-dimethyl-, (2Z)-2,6-Octadiene, 1-(1-ethoxyethoxy)-3,7-dimethyl-, (Z)-DTXSID50887464RefChem:445851DTXCID20102675868555-64-6(Z)-1-(1-Ethoxyethoxy)-3,7-dimethylocta-2,6-diene(2Z)-1-(1-ethoxyethoxy)-3,7-dimethylocta-2,6-dieneSCHEMBL29827558XJMAAOIVFHDJAK-RAXLEYEMSA-N
Show more names
neryl ethyl acetal(Z)-1-(1-Ethoxyethoxy)-3,7-dimethyl-2,6-octadiene
NS00092039
Database identifiers
- CAS
68555-64-6- PubChem CID
- 6437573
- DTXSID
DTXSID50887464- EC Number
- 271-441-6
- Nikkaji
- J325.836J
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 225
Physicochemical properties
- LogP
- 4.307 · 4.307 (est)
- EPA Substance Registry System
- 2 · 2,6-Octadiene, 1-(1-ethoxyethoxy)-3,7-dimethyl-, (Z)- (68555-64-6)
- 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.
Hazard information
Regulatory Information
Chemical: 2,6-Octadiene, 1-(1-ethoxyethoxy)-3,7-dimethyl-, (Z)-
2,6-Octadiene, 1-(1-ethoxyethoxy)-3,7-dimethyl-, (Z)-: Does not have an individual approval but may be used under an appropriate group standard
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing Information2,6-Octadiene, 1-(1-ethoxyethoxy)-3,7-dimethyl-, (2Z)-: INACTIVE
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Related reactions
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Compound notes
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