Results for:
PubChem ID: 7148

1-phenylpropan-1-one

Mass-Spectra

Compound Details

Synonymous names
Propiophenone
93-55-0
1-phenylpropan-1-one
Ethyl phenyl ketone
Propionylbenzene
PHENYL ETHYL KETONE
1-Propanone, 1-phenyl-
1-Phenyl-1-propanone
Ketone, ethyl phenyl
Propionphenone
1-Phenyl-propan-1-one
USAF EK-1235
FEMA No. 3469
NSC 16937
2-methyl-acetophenone
E599A8OKQH
DTXSID2044470
CHEBI:425902
NSC-16937
2-Methyl acetophenone
HSDB 1177
EINECS 202-257-6
UNII-E599A8OKQH
BRN 0606215
propiophenon
Benzoylethane
phenylethylketone
AI3-00951
FEMA 3469
1-phenylpropanone
3szb
methyl-acetophenone
Propiophenone, 99%
Propiophenone, >=99%
PROPIOPHENONE [MI]
EC 202-257-6
WLN: 2VR
PROPIOPHENONE [FHFI]
SCHEMBL76464
4-07-00-00680 (Beilstein Handbook Reference)
PROPIOPHENONE [WHO-DD]
CHEMBL193446
DTXCID0024470
Propiophenone, analytical standard
PHENYL ETHYL KETONE [HSDB]
NSC16937
Tox21_302025
BBL027754
MFCD00009309
STL282500
AKOS000119030
MCULE-1646597293
CAS-93-55-0
NCGC00255954-01
Propiophenone, purum, >=99.0% (GC)
VS-08588
1-PROPANONE,1-PHENYL PROPIOPHENONE
NS00009925
P0519
1-PROPANONE,1-PHENYL PROPIOPHENONE
EN300-19183
Propiophenone, Vetec(TM) reagent grade, 99%
Q415446
W-100239
F0001-2238
Z104473068
InChI=1/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H
Microorganism:

Yes

IUPAC name1-phenylpropan-1-one
SMILESCCC(=O)C1=CC=CC=C1
InchiInChI=1S/C9H10O/c1-2-9(10)8-6-4-3-5-7-8/h3-7H,2H2,1H3
FormulaC9H10O
PubChem ID7148
Molweight134.17
LogP2.2
Atoms10
Bonds2
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids aromatic compounds aromatic ketones ketones
CHEBI-ID425902
Supernatural-IDSN0193334

mVOC Specific Details

Boiling Point
DegreeReference
218.0 DEG C @ 760 MM HGBudavari, S. (ed.). The Merck Index - Encyclopedia of Chemicals, Drugs and Biologicals. Rahway, NJ: Merck and Co., Inc., 1989., p. 1244
Volatilization
The Henry's Law constant for phenyl ethyl ketone is estimated as 1.3X10-4 atm-cu m/mole at 20 deg C(SRC) from its experimental values for vapor pressure, 0.15 mm Hg at 20 deg C(1), and water solubility, 2000 mg/l at 20 deg C(1). This value indicates that phenyl ethyl ketone will volatilize from water surfaces(3,SRC). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) is estimated as approximately 11 hours(3,SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 7 days(2,SRC). Phenyl ethyl ketone's vapor pressure(1) and Henry's Law constant(1,2,SRC) indicate that volatilization from dry and moist soil may occur(SRC).
Literature: (1) Papa AJ, Sherman PDJR; Kirk Othmer Encycl Chem Tech 3rd ed NY,NY: Wiley 13: 894-941 (1981) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
The Koc of phenyl ethyl ketone is estimated as approximately 370(SRC), using an experimental log Kow of 2.19(1) and a regression-derived equation(2,SRC). According to a recommended classification scheme(3), this estimated Koc value suggests that phenyl ethyl ketone has medium mobility in soil(SRC).
Literature: (1) Hansch C et al; Exploring QSAR: Hydrophobic, Electronic, and Steric Constants. ACS Professional Reference Book. Heller SR (consult ed) Washington, DC: Amer Chem Soc pg 57 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
1.5 mm Hg at 20 deg CKirk-Othmer Encyclopedia of Chemical Technology. 3rd ed., Volumes 1-26. New York, NY: John Wiley and Sons, 1978-1984., p. V13 897 (1981)
MS-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Subtilisantifungal activity against Alternaria solaniisolate from rhizosphere of potato in Shandong and Hebei Province in ChinaZhang et al. 2020
ProkaryotaBurkholderia AmbifariaNAGroenhagen et al. 2013
ProkaryotaBurkholderia Pyrrocinian/aNABlom et al. 2011
ProkaryotaBurkholderia Thailandensisn/aNABlom et al. 2011
ProkaryotaSerratia Proteamaculansn/aNABlom et al. 2011
ProkaryotaLactobacillus FermentumnanaPogačić et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus SubtilisLB mediaHS-SPME/GC-MSno
ProkaryotaBurkholderia AmbifariaLuria-Bertani medium, Malt Extractyes
ProkaryotaBurkholderia PyrrociniaMR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaBurkholderia ThailandensisLB, MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaSerratia ProteamaculansLBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)no
ProkaryotaLactobacillus Fermentumcurd-based broth mediumGC/MSyes