acetophenone


acetophenone; acetylbenzene; benzoylmethide; hypnone; methyl phenyl ketone; phenylethanone; 1-phenylethanone; 1-phenylethan-1-one; phenyl methyl ketone
Links:🌍 Wikipedia, 📏 NIST, ⚗️ ChemSynthesis, 📖 PubMed,
📖Houben-Weyl, 2. Band (Acetophenon); p. 6, 22, 208, 230, 397, 410, 418, 459, 576, 591, 610, 612, 627, 637, 694, 697, 701, 729, 809, 886, 980, 999, 1003, 1005,
MeSH:Photosensitizing Agents; Radiation-Sensitizing Agents
CAS RN:[98-86-2]
Formula:C8H8O; 120.15 g/mol
InChiKey:KWOLFJPFCHCOCG-UHFFFAOYSA-N
SMILES:O=C(c1ccccc1)C
Molecular structure of acetophenone
Wiswesser LN:1VR
Use:flavors; perfumes; pharmaceuticals
Odor:pleasant
Toxicology (LD50):1 760 mg/Kg (rabbit, ct); 900 mg/Kg(rat, or); 3 000 mg/Kg(rat, or)
Density:1.024 g/mL
Molar volume:117.3 mL/mol
Refractive index:1.533
Molecular refractive power:36.39 mL/mol
Dielectric constant:17.40
Dipole moment:3.05 D
Melting point:20 °C
Boiling point:202 °C
Vapour pressure:0 Torr
Antoine equation
P(Torr) vs T(°C)
Vapour pressure vs temperature
Surface tension:12.00 dyn/cm
Viscosity:1.74 cP
Critical temperature:155 °C
Critical pressure:37.5 atm
Evaporation rate (butyl acetate):0.0
Solubility in water:1 % w/w
Solubility of water:2 % w/w
Log10 partition octanol / water:1.58
Dimroth ET:40.6
Hildebrant solubility parameter (δ):10.2
Hansen solubility parameter:δd: 9.6 (cal/mL)^0.5   δp: 4.2 (cal/mL)^0.5   δh: 1.8 (cal/mL)^0.5
100g dissolves:
63.1g 4-nitrobenzyl chloride
Specific heat capacity:54.0 cal/molK

Isomers

acetophenone
Molecular structure of acetophenone
bicyclo[4.2.0]octa-1,3,5-trien-7-ol
Molecular structure of bicyclo[4.2.0]octa-1,3,5-trien-7-ol
1,3-dihydro-2-benzofuran
Molecular structure of 1,3-dihydro-2-benzofuran
2,3-dihydrobenzofuran
Molecular structure of 2,3-dihydrobenzofuran
ethenoxybenzene
Molecular structure of ethenoxybenzene
2-ethenylphenol
Molecular structure of 2-ethenylphenol
3-ethenylphenol
Molecular structure of 3-ethenylphenol
2-methylbenzaldehyde
Molecular structure of 2-methylbenzaldehyde
3-methylbenzaldehyde
Molecular structure of 3-methylbenzaldehyde
4-methylbenzaldehyde
Molecular structure of 4-methylbenzaldehyde
phenylacetaldehyde
Molecular structure of phenylacetaldehyde
phenyloxirane
Molecular structure of phenyloxirane
(2R)-2-phenyloxirane
Molecular structure of (2R)-2-phenyloxirane
(2S)-2-phenyloxirane
Molecular structure of (2S)-2-phenyloxirane
4-vinylphenol
Molecular structure of 4-vinylphenol