Results for:
PubChem ID: 7288

Pentan-3-one

Mass-Spectra

Compound Details

Synonymous names
Dimethylacetone
diathylketon
Diethylcetone
DIETHYLKETONE
Metacetone
Methacetone
FDPIMTJIUBPUKL-UHFFFAOYSA-N
Propione
dimethyl acetone
Ethyl propionyl
Diethyl ketone
DEK
diethylcetone(french)
Ethyl ketone
ethyl ethyl ketone
3-oxopentane
AC1L1OFJ
AC1Q2ROK
AC1Q5GYE
3-pentanon
3-PENTANONE
di-ethyl ketone
Pentanone-3
Diethylcetone [French]
UNII-Y4Y2BRI5UL component FDPIMTJIUBPUKL-UHFFFAOYSA-N
1,3-Dimethylacetone
3-Pentanone, analytical standard
9SLZ98M9NK
KSC492E6L
Pentan-3-one
3-Oxylatopentane-3-ylium
7317AF
CHEMBL45315
NSC8653
UN1156
UNII-9SLZ98M9NK
CTK3J2265
P0061
ACMC-209s6p
RP18460
HSDB 5301
WLN: 2V2
BBL027755
DTXSID6021820
NSC 8653
NSC-8653
OR034165
OR128391
OR245564
STL281851
UN 1156
(C2H5)2CO
1-pentan-3-one
3-Pentanone, >=99%
A845564
CHEBI:87755
DSSTox_CID_1820
ZINC1648158
AN-24339
ANW-40799
CJ-26591
DSSTox_GSID_21820
KB-33099
SC-75292
TRA0007787
BB_SC-6948
DSSTox_RID_76347
LMFA12000001
MFCD00009320
ZINC01648158
AI3-24337
LS-101912
RTR-030127
TR-030127
AKOS000119714
I14-4162
FT-0616299
96-22-0
Z234895377
Tox21_200677
F0001-2290
BUTYL, 1-METHYL-2-OXO-
CAS-96-22-0
3-Pentanone, for HPLC, 96%
3-Pentanone, ReagentPlus(R), >=99%
MCULE-8236549739
NCGC00166068-01
NCGC00166068-02
NCGC00258231-01
EINECS 202-490-3
Diethyl ketone [UN1156] [Flammable liquid]
3-Pentanone, 99% 100ml
MolPort-001-770-065
26071-EP2314558A1
92820-EP2269986A1
92820-EP2272825A2
92820-EP2295414A1
92820-EP2305649A1
Diethyl ketone [UN1156] [Flammable liquid]
103051-EP2269986A1
103051-EP2287154A1
103051-EP2289879A1
103051-EP2298753A1
103051-EP2301918A1
3-Pentanone, ReagentPlus(R), >=99.0% (GC)
InChI=1/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H
Microorganism:

Yes

IUPAC namepentan-3-one
SMILESCCC(=O)CC
InchiInChI=1S/C5H10O/c1-3-5(6)4-2/h3-4H2,1-2H3
FormulaCH3CH2COCH2CH3
PubChem ID7288
Molweight86.134
LogP1.51
Atoms16
Bonds15
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationKetones Ketone

mVOC Specific Details

Volatilization
The Henry's Law constant for diethyl ketone is 5.0X10-5 atm-cu m/mole(1). This Henry's Law constant indicates that diethyl ketone is expected to volatilize from water surfaces(2). 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)(2) is estimated as 19 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 8.6 days(SRC). diethyl ketone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Diethyl ketone is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 37.7 mm Hg(3).
Literature: (1) Sander R; Compilation of Henry's Law constants for Inorganic and Organic Species of Potential Importance in Environmental Chemistry. (ver. 3) (1999). Available at http://www.henrys-law.org as of Aug 30, 2007. (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. NY, NY: Hemisphere Pub Corp, (1989)
Soil Adsorption
The Koc of diethyl ketone is estimated as 82(SRC), using a log Kow of 0.99(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that diethyl ketone is expected to have high mobility in soil.
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 14 (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: 17-28 (1983)
Vapor Pressure
PressureReference
37.7 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCollimonas Fungivorans Ter331n/aGarbeva et al., 2013
BacteriaCollimonas Pratensis TER91narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaPaenibacillus Sp. P4narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaPedobacter Sp. V48narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaSerratia Plymuthica PRI-2Cnamaize rhizosphere, NetherlandsGarbeva et al., 2014
BacteriaThermomonospora Fusca DSM 43792nasoilWilkins, 1996
FungiCladosporium Cladosporioides Ellisnaindoor, outdoor, on a wide range of materialsSunesson et al., 1995
BacteriaActinomycetes Spp.n/aSchulz and Dickschat, 2007
BacteriaCyanobacterian/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCollimonas Fungivorans Ter331Headspace trapping/GC-MS
BacteriaCollimonas Pratensis TER91sand containing artificial root exudatesGC/MSNo
BacteriaPaenibacillus Sp. P4sand containing artificial root exudatesGC/MSNo
BacteriaPedobacter Sp. V48sand containing artificial root exudatesGC/MSNo
BacteriaSerratia Plymuthica PRI-2Csand containing artificial root exudatesGC/MSNo
BacteriaThermomonospora Fusca DSM 43792Nutrient agar CM3GC/MS
FungiCladosporium Cladosporioides EllisDG18GC/MS
BacteriaActinomycetes Spp.n/an/a
BacteriaCyanobacterian/an/a