Results for:
PubChem ID: 7148

1-phenylpropan-1-one

Mass-Spectra

Compound Details

Synonymous names
METHYLACETOPHENONE
phenylethylketone
Propionylbenzene
Propionphenone
Propiophenone
methyl-acetophenone
KRIOVPPHQSLHCZ-UHFFFAOYSA-N
PHENYLETHYL KETONE
Propiophenone, analytical standard
Ethyl phenyl ketone
PHENYL ETHYL KETONE
2-Methyl acetophenone
2-methyl-acetophenone
3szb
Ketone, ethyl phenyl
Propiophenone, >=99%
AC1Q2RO3
AC1L1O4A
E599A8OKQH
Propiophenone, 99%
M855
KSC492A7T
UNII-E599A8OKQH
ACMC-209rmf
SCHEMBL76464
WLN: 2VR
P0519
CTK3J2079
1-phenylpropan-1-one
NSC16937
CHEMBL193446
1-Phenyl-1-propanone
AS01141
RL05872
FEMA 3469
HSDB 1177
LS-3065
OR277114
DTXSID2044470
OR025522
OR377875
STL282500
SBB058853
BBL027754
ZINC1747833
AN-24266
DSSTox_GSID_44470
CJ-29628
CJ-07016
NSC-16937
NSC 16937
ANW-40069
SC-26014
1-Propanone,1-phenyl-
TL8005929
LABOTEST-BB LTBB002288
USAF EK-1235
1-Phenyl-propan-1-one
BB_SC-6910
ATTERCOP-CHM AT130569
CHEBI:425902
1-PROPANONE,1-PHENYL PROPIOPHENONE
ZINC01747833
DSSTox_CID_24470
DSSTox_RID_80252
MFCD00009309
TC-020464
ST50213456
RTC-020464
AI3-00951
I01-0417
W-100239
AKOS000119030
FT-0631470
1-Propanone, 1-phenyl-
FEMA No. 3469
BRN 0606215
LABOTEST-BB LT03333751
93-55-0
Propiophenone, 99% 100g
OTAVA-BB 1043816
Tox21_302025
F0001-2238
Propiophenone, Vetec(TM) reagent grade, 99%
Z1250132576
CAS-93-55-0
MCULE-1646597293
NCGC00255954-01
EINECS 202-257-6
EC 202-257-6
Propiophenone, purum, >=99.0% (GC)
MolPort-000-871-248
ETHYL, 1-METHYL-2-OXO-2-PHENYL-
4-07-00-00680 (Beilstein Handbook Reference)
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
Molweight134.178
LogP2.23
Atoms20
Bonds20
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids ketones

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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaBurkholderia Pyrrocinia LMG 21822n/aBlom et al., 2011
BacteriaBurkholderia Thailandensis LMG 20219n/aBlom et al., 2011
BacteriaSerratia Proteamaculans B5an/aBlom et al., 2011
BacteriaBurkholderia Ambifaria LMG 19467Groenhagen et al., 2013
BacteriaLactobacillus Fermentum LSL 205nanaPogačić et al., 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaBurkholderia Pyrrocinia LMG 21822MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Thailandensis LMG 20219LB, MR-VP, MS and AngleHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaSerratia Proteamaculans B5aLBHeadspace air was trapped in glass Gerstel TDS tubes and analysed by gas chromatography with mass selective detection (GC-MSD)
BacteriaBurkholderia Ambifaria LMG 19467Luria-Bertani medium, Malt ExtractYes
BacteriaLactobacillus Fermentum LSL 205curd-based broth mediumGC/MSYes