Benzene, [2-(diethoxymethyl)-1-octen-1-yl]-
Basic information
- CAS
67845-59-4- Standard SMILES
CCCCCC/C(=C\c1ccccc1)C(OCC)OCC- InChIKey
QOUAYQKASAQPJF-FBMGVBCBSA-N- Molecular formula
- C19H30O2
- Average molar mass
- 290.4 g/mol
- Monoisotopic mass
- 290.2245802
Names & identifiers
- Preferred name
- Benzene, [2-(diethoxymethyl)-1-octen-1-yl]-
- IUPAC
- [(E)-2-(diethoxymethyl)oct-1-enyl]benzene
Names & synonyms
alpha-Hexylcinnamaldehyde, diethyl acetalEINECS 267-331-2alpha-Hexylcinnamic aldehyde, diethylacetalBenzene, (2-(diethoxymethyl)-1-octenyl)-Benzene, (2-(diethoxymethyl)-1-octen-1-yl)-67845-59-4Benzene, [2-(diethoxymethyl)-1-octen-1-yl]-RefChem:3231121,1-Diethoxy-2-hexyl-3-phenyl-2-propene[2-(diethoxymethyl)oct-1-en-1-yl]benzeneSCHEMBL9421206DTXSID6070693
Show more names
QOUAYQKASAQPJF-FBMGVBCBSA-N(2-(Diethoxymethyl)-1-octenyl)benzene
Database identifiers
- CAS
67845-59-4- PubChem CID
- 6437149
- EC Number
- 267-331-2
- Nikkaji
- J287.495D
Properties
Computed structural properties
- XLogP
- 6.2
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 11
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 261
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 25 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Regulatory InformationChemical: Benzene, [2-(diethoxymethyl)-1-octenyl]-
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzene, [2-(diethoxymethyl)-1-octen-1-yl]-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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