Dodec-3-en-1-al
Basic information
- CAS
68083-57-8- Standard SMILES
CCCCCCCCC=CCC=O- InChIKey
HBBONAOKVLYWBI-UHFFFAOYSA-N- Molecular formula
- C12H22O
- Average molar mass
- 182.3 g/mol
- Monoisotopic mass
- 182.16706532
Names & identifiers
- Preferred name
- Dodec-3-en-1-al
- IUPAC
- dodec-3-enal
Names & synonyms
Dodec-3-en-1-al68083-57-8DTXSID9052391RefChem:200715DTXCID9030963Dodec-3-enal3-dodecen-1-al(3Z)-3-Dodecenaldodec-3-en-1-one(Z)-3-dodecen-1-alSCHEMBL453510SCHEMBL7288642
Show more names
HBBONAOKVLYWBI-UHFFFAOYSA-NTCA08357NS00012353
Database identifiers
- CAS
68083-57-8- PubChem CID
- 106523
- DTXSID
DTXSID9052391- EC Number
- 268-406-2
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 9
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 127
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 116 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: 3-Dodecenal
3-Dodecenal: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Dodecenal: ACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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