Basic information
- CAS
31739-46-5- Standard SMILES
C#CC(=O)Cc1ccccc1- InChIKey
WUZGMAXWGIRPRC-UHFFFAOYSA-N- Molecular formula
- C10H8O
- Average molar mass
- 144.17 g/mol
- Monoisotopic mass
- 144.05751487
Names & identifiers
- Preferred name
- 1-Phenylbut-3-yn-2-one
- IUPAC
- 1-phenylbut-3-yn-2-one
Names & synonyms
1-phenylbut-3-yn-2-one31739-46-5RefChem:435682970-486-5SCHEMBL9794025SCHEMBL29062440GBA73946AKOS014915222NCGC00665788-01CS-0223595EN300-115937G49468
Show more names
Z1266856334
Database identifiers
- CAS
31739-46-5- PubChem CID
- 15412866
- EC Number
- 970-486-5
- Nikkaji
- J1.311.239H
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 178
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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