Results for:
PubChem ID: 8452

Cyclopentanone

Mass-Spectra

Compound Details

Synonymous names
CYCLOPENTANONE
120-92-3
Adipic ketone
Ketocyclopentane
Ketopentamethylene
Dumasin
Adipinketon
cyclopentan-1-one
oxocyclopentane
Adipin keton
NSC 4122
HSDB 2822
EINECS 204-435-9
UNII-220W81TN3S
DTXSID3029154
CHEBI:16486
AI3-16609
220W81TN3S
NSC-4122
CHEMBL18620
DTXCID209154
FEMA NO. 3910
EC 204-435-9
MFCD00001409
cyclopentanon
CAS-120-92-3
CYCLOPENTANONE (2,2,5,5-D4)
UN2245
cyclopentaneon
Dumasine
cyclo-pentanone
?Cyclopentanone
2-cyclopentanone
Cyclopentanone [UN2245] [Flammable liquid]
WLN: L5VTJ
CYCLOPENTANONE [MI]
CYCLOPENTANONE [FHFI]
CYCLOPENTANONE [HSDB]
Cyclopentanone, >=99%, FG
FEMA 3910
NSC4122
Cyclopentanone, analytical standard
AMY37126
STR00465
Tox21_200244
Tox21_303562
BDBM50028830
STL185563
AKOS000118935
MCULE-9455227735
UN 2245
NCGC00248575-01
NCGC00257495-01
NCGC00257798-01
BP-12623
Cyclopentanone, ReagentPlus(R), >=99%
3-Acetyl-6-methyl-Pyran-2,4(3H)-dione
Cyclopentanone, ReagentPlus(R), >=99.0%
DB-061830
NS00004610
EN300-19196
C00557
Cyclopentanone [UN2245] [Flammable liquid]
A804615
Q416065
InChI=1/C5H8O/c6-5-3-1-2-4-5/h1-4H
F0001-0334
Microorganism:

Yes

IUPAC namecyclopentanone
SMILESC1CCC(=O)C1
InchiInChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2
FormulaC5H8O
PubChem ID8452
Molweight84.12
LogP0.4
Atoms6
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationketones
CHEBI-ID16486
Supernatural-IDSN0025095

mVOC Specific Details

Boiling Point
DegreeReference
130.6 °C peer reviewed
Volatilization
A Henry's Law constant of 1.0X10-5 atm-cu m/mole at 25 deg C(1) indicates that volatilization of cyclopentanone from natural bodies of water should be an important fate process(2). Based upon this Henry's Law constant, the volatilization half-life from a model river (1 meter deep flowing 1 m/sec with a wind speed of 3 m/sec) has been estimated to be 3.5 days(2,SRC). The volatilization half-life from a model pond, which considers the effect of adsorption, has been estimated to be about 40 days(3,SRC). Based on the vapor pressure of 11.4 mm Hg at 25 deg C(4), cyclopentanone should evaporate from dry surfaces, especially when present in high concn such as in spill situations(SRC).
Literature: (1) Hawthorne SB et al; Environ Sci Technol 19: 992-7 (1985) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods NY: McGraw-Hill pp. 15-15 to 15-29 (1982) (3) USEPA; EXAMS II Computer Simulation (1987) (4) Daubert TE, Danner RP; Data Complilation, Tables of Properties of Pure Cmpds, Design Inst for Phys Prop Data, Am Inst for Phys Prop Data, NY,NY (1989)
Soil Adsorption
Based on an estimated water solubility of 9175 mg/L(1), a Koc value of 30 for cyclopentanone has been calculated from a regression-derived equation(1,SRC). This Koc value indicates cyclopentanone should be very highly mobile in soil(2).
Literature: (1) Lyman WJ et al; Handbook of Chemical Property Estimation Methods NY: McGraw-Hill p. 4-9 (1982) (2) Swann RL et al; Res Rev 85: 16-28 (1983)
Vapor Pressure
PressureReference
11.4 mm Hg at 25 deg CDaubert TE, Danner RP; Data Complilation, Tables of Properties of Pure Cmpds, Design Inst for Phys Prop Data, Am Inst for Phys Prop Data, NY,NY (1989)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEscherichia ColiNANALawal et al. 2018a
ProkaryotaPseudomonas AeruginosaNANALawal et al. 2018a
ProkaryotaEnterobacter CloacaeNALawal et al. 2018
ProkaryotaPseudomonas AeruginosaNALawal et al. 2018
ProkaryotaActinomycetes Sp.n/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Albidoflavusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Sp.n/aNASchöller et al. 2002
ProkaryotaStreptomyces Rishiriensisn/aNASchöller et al. 2002
ProkaryotaStreptomyces Albusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Antibioticusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Aureofaciensn/aNASchöller et al. 2002
ProkaryotaStreptomyces Coelicolorn/aNASchöller et al. 2002
ProkaryotaStreptomyces Diastatochromogenesn/aNASchöller et al. 2002
ProkaryotaStreptomyces Griseusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Hirsutusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Hygroscopicusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Murinusn/aNASchöller et al. 2002
ProkaryotaStreptomyces Thermoviolaceusn/aNASchöller et al. 2002
EukaryotaAspergillus Flavusn/aNABeck et al. 2012
EukaryotaAspergillus Parasiticusn/aNABeck et al. 2012
EukaryotaAspergillus Nigern/aNABeck et al. 2012
EukaryotaPenicillium Glabrumn/aNABeck et al. 2012
EukaryotaRhizopus Stolonifern/aNABeck et al. 2012
ProkaryotaSalinispora Tropicanamarine sedimentGroenhagen et al. 2016
ProkaryotaSaccharomonospora RectivirgulanasoilWilkins 1996
ProkaryotaSaccharomonospora ViridisnasoilWilkins 1996
EukaryotaPenicillium Communenain dry-cured meat products, cheeseSunesson et al. 1995
EukaryotaPhialophora FastigiatananaSunesson et al. 1995
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEscherichia ColiASMTD/GC-MSno
ProkaryotaPseudomonas AeruginosaASMTD/GC-MSno
ProkaryotaEnterobacter CloacaeLevine EMB agar (LEA) (Fluka Analytical, UK)GC-MSno
ProkaryotaPseudomonas AeruginosaLevine EMB agar (LEA) (Fluka Analytical, UK)GC-MSno
ProkaryotaActinomycetes Sp.n/an/ano
ProkaryotaStreptomyces Albidoflavusn/an/ano
ProkaryotaStreptomyces Sp.n/an/ano
ProkaryotaStreptomyces Rishiriensisn/an/ano
ProkaryotaStreptomyces Albusn/an/ano
ProkaryotaStreptomyces Antibioticusn/an/ano
ProkaryotaStreptomyces Aureofaciensn/an/ano
ProkaryotaStreptomyces Coelicolorn/an/ano
ProkaryotaStreptomyces Diastatochromogenesn/an/ano
ProkaryotaStreptomyces Griseusn/an/ano
ProkaryotaStreptomyces Hirsutusn/an/ano
ProkaryotaStreptomyces Hygroscopicusn/an/ano
ProkaryotaStreptomyces Murinusn/an/ano
ProkaryotaStreptomyces Thermoviolaceusn/an/ano
EukaryotaAspergillus Flavuspotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaAspergillus Parasiticuspotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaAspergillus Nigerpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaPenicillium Glabrumpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
EukaryotaRhizopus Stoloniferpotato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MSno
ProkaryotaSalinispora Tropicaseawater-based A1GC/MSno
ProkaryotaSaccharomonospora RectivirgulaNutrient agar CM3GC/MSno
ProkaryotaSaccharomonospora ViridisNutrient agar CM3GC/MSno
EukaryotaPenicillium CommuneDG18GC/MSno
EukaryotaPhialophora FastigiataDG18GC/MSno