1-Phenyl-3-buten-2-one
Basic information
- CAS
37442-55-0- Standard SMILES
C=CC(=O)Cc1ccccc1- InChIKey
PTUXNCQDACBMKP-UHFFFAOYSA-N- Molecular formula
- C10H10O
- Average molar mass
- 146.19 g/mol
- Monoisotopic mass
- 146.07316494
Names & identifiers
- Preferred name
- 1-Phenyl-3-buten-2-one
- IUPAC
- 1-phenylbut-3-en-2-one
- English name
- 1-phenylbut-3-en-2-one
- Molecular formula
- C10H10O
- Molecular weight
- 146.19
Names & synonyms
1-phenylbut-3-en-2-one37442-55-01-PHENYL-3-BUTEN-2-ONEDTXSID80190892RefChem:435630DTXCID20113383894-847-0phenylbutenonephenyl-but-3-en-2-one1-phenyl-but-3-en-2-one4-phenyl-but-1-ene-3-oneSCHEMBL669706
Show more names
3-Buten-2-one, 1-phenyl-
SCHEMBL7874216PTUXNCQDACBMKP-UHFFFAOYSA-NMBA44255MFCD02259844AKOS014915000SY503981EN300-141879
Database identifiers
- CAS
37442-55-0- PubChem CID
- 37734
- DTXSID
DTXSID80190892- EC Number
- 894-847-0
- Nikkaji
- J1.164.744H
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 143
Physicochemical properties
- Boiling point
- 241.9 · 241.9±19.0 °C(Predicted)
- Density
- 0.991 · 0.991±0.06 g/cm3(Predicted)
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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)
Related reactions
2 records
Compound notes
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