Basic information
- CAS
26965-15-1- Standard SMILES
C=CCC(C(C)=O)c1ccccc1- InChIKey
PFVBEXIOMYJVLN-UHFFFAOYSA-N- Molecular formula
- C12H14O
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.10446507
Names & identifiers
- Preferred name
- 3-Phenyl-hex-5-EN-2-one
- IUPAC
- 3-phenylhex-5-en-2-one
- English name
- 3-phenylhex-5-en-2-one
- Molecular formula
- C12H14O
- Molecular weight
- 174.23896
Names & synonyms
3-phenyl-hex-5-en-2-one26965-15-1RefChem:504902654-334-23-phenylhex-5-en-2-one3-phenyl-5-hexen-2-oneSCHEMBL8252373AKOS022505207
Database identifiers
- CAS
26965-15-1- PubChem CID
- 3546830
- EC Number
- 654-334-2
- Nikkaji
- J504.356E
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 178
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317
- Precautionary statements
- 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
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 38 reports by companies from 1 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H317
- Precautionary statements
- P261-P272-P280-P302+P352-P333+P313-P321-P363-P501
Chemistry & industry
Suppliers1 total
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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