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Cas Database |
| Name |
trans-1-Phenyl-2-buten-1-one |
EINECS | N/A |
| CAS No. | 35845-66-0 | Density | 0.99g/cm3 |
| PSA | 17.07000 | LogP | 2.44540 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C10H10 O | Boiling Point | 225.7°Cat760mmHg |
| Molecular Weight | 146.189 | Flash Point | 86.3°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | 22 | |
| Molecular Structure |
|
Hazard Symbols | Xn |
| Synonyms |
2-Buten-1-one,1-phenyl-, (E)-; (2E)-1-Phenyl-2-buten-1-one; (E)-1-Benzoyl-1-propene;(E)-1-Phenyl-2-buten-1-one; (E)-1-Phenyl-2-buten-1-one; NSC 28846;trans-1-Phenyl-2-buten-1-one |
Article Data | 104 |
trans-1-Phenyl-2-buten-1-one Chemical Properties
Molecule structure of trans-1-Phenyl-2-buten-1-one (CAS NO.35845-66-0):
IUPAC Name: (E)-1-Phenylbut-2-en-1-one
Molecular Weight: 146.1858 [g/mol]
Molecular Formula: C10H10O
Index of Refraction: 1.53
Molar Refractivity: 45.6 cm3
Molar Volume: 147.5 cm3
Surface Tension: 35 dyne/cm
Density: 0.99 g/cm3
Flash Point: 86.3 °C
Enthalpy of Vaporization: 46.22 kJ/mol
Boiling Point: 225.7 °C at 760 mmHg
Vapour Pressure: 0.0851 mmHg at 25 °C
XLogP3: 1.8
H-Bond Acceptor: 1
Rotatable Bond Count: 2
Tautomer Count: 3
Exact Mass: 146.073165
MonoIsotopic Mass: 146.073165
Topological Polar Surface Area: 17.1
Heavy Atom Count: 11
Canonical SMILES: CC=CC(=O)C1=CC=CC=C1
Isomeric SMILES: C/C=C/C(=O)C1=CC=CC=C1
InChI: InChI=1S/C10H10O/c1-2-6-10(11)9-7-4-3-5-8-9/h2-8H,1H3/b6-2+
InChIKey of trans-1-Phenyl-2-buten-1-one (CAS NO.35845-66-0): FUJZJBCWPIOHHN-QHHAFSJGSA-N
trans-1-Phenyl-2-buten-1-one Specification
trans-1-Phenyl-2-buten-1-one (CAS NO.35845-66-0) is also named as (2E)-1-Phenylbut-2-en-1-one ; 2-Buten-1-one, 1-phenyl- ; 2-Buten-1-one, 1-phenyl-, (2E)- ; Crotonophenone ; 1-Phenyl-but-2-en-1-one .
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