Results for:
PubChem ID: 8452

Cyclopentanone

Mass-Spectra

Compound Details

Synonymous names
Ketopentamethylene
Ketocyclopentane
CYCLOPENTANONE
oxocyclopentane
cyclopentanon
Adipinketon
BGTOWKSIORTVQH-UHFFFAOYSA-N
Cyclopentanone, analytical standard
cyclo-pentanone
Dumasin
Adipic ketone
Cyclopentanone (Fragrance Grade)
Cyclopentanone (Industrial Grade)
cyclopentan-1-one
AC1L1R0Y
AC1Q6EM8
KSC175E5F
CHEMBL18620
NSC4122
UN2245
WLN: L5VTJ
CTK0H5252
ACMC-209a8l
RP18421
STR00465
220W81TN3S
C00557
HSDB 2822
ZINC895304
BBL027340
Cyclopentanone, >=99%, FG
DTXSID3029154
NSC 4122
NSC-4122
OR034364
OR208686
OR208687
SBB040835
UN 2245
ZB015018
A804615
CHEBI:16486
DSSTox_CID_9154
UNII-220W81TN3S
AN-22836
ANW-17539
BP-12623
DSSTox_GSID_29154
KB-49297
LS-58062
SC-79911
TRA0014375
BDBM50028830
Cyclopentanone, ReagentPlus(R), >=99%
DSSTox_RID_78687
MFCD00001409
ZINC00895304
AI3-16609
DB-061830
RTR-034475
ST50214416
TR-034475
AKOS000118935
S14-1450
FT-0624259
Cyclopentanone, 99% 500ml
Tox21_200244
Tox21_303562
120-92-3
Cyclopentanone, ReagentPlus(R), >=99.0%
F0001-0334
Cyclopentanone [UN2245] [Flammable liquid]
MCULE-9455227735
NCGC00248575-01
NCGC00257495-01
NCGC00257798-01
CAS-120-92-3
EINECS 204-435-9
Cyclopentanone [UN2245] [Flammable liquid]
MolPort-000-871-991
22787-EP2272517A1
22787-EP2272817A1
22787-EP2272822A1
22787-EP2272832A1
22787-EP2275398A1
22787-EP2280009A1
22787-EP2280010A2
22787-EP2281817A1
22787-EP2289895A1
22787-EP2292592A1
22787-EP2292597A1
22787-EP2292606A1
22787-EP2292611A1
22787-EP2295414A1
22787-EP2295422A2
22787-EP2295436A1
22787-EP2298731A1
22787-EP2298746A1
22787-EP2298750A1
22787-EP2298767A1
22787-EP2298778A1
22787-EP2305250A1
22787-EP2305633A1
22787-EP2305651A1
22787-EP2308854A1
22787-EP2311810A1
22787-EP2314575A1
22787-EP2314583A1
22787-EP2314587A1
22787-EP2315502A1
28328-EP2269986A1
28328-EP2272817A1
28328-EP2272825A2
28328-EP2272832A1
28328-EP2275411A2
28328-EP2277848A1
28328-EP2277878A1
28328-EP2287159A1
28328-EP2292593A2
28328-EP2295411A1
28328-EP2298767A1
28328-EP2301928A1
28328-EP2305648A1
28328-EP2305649A1
28328-EP2305661A1
28328-EP2305668A1
28328-EP2308851A1
28328-EP2314577A1
117278-EP2281817A1
117278-EP2298762A2
InChI=1/C5H8O/c6-5-3-1-2-4-5/h1-4H
Microorganism:

Yes

IUPAC namecyclopentanone
SMILESC1CCC(=O)C1
InchiInChI=1S/C5H8O/c6-5-3-1-2-4-5/h1-4H2
FormulaC5H8O
PubChem ID8452
Molweight84.118
LogP1.04
Atoms14
Bonds14
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationKetones

mVOC Specific Details

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

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaActinomycetes Spp.n/aSchulz and Dickschat, 2007
BacteriaSaccharomonospora Rectivirgula DSM 43113nasoilWilkins, 1996
BacteriaSaccharomonospora Viridis DSM 43017nasoilWilkins, 1996
BacteriaSalinispora Tropica CNB-440namarine sedimentGroenhagen et al., 2016
BacteriaStreptomyces Albidoflavus AMI 246n/aSchoeller et al., 2002
BacteriaStreptomyces Albus Subsp. Pathocidicus IFO 13812n/aSchoeller et al., 2002
BacteriaStreptomyces Antibioticus ETH 22014n/aSchoeller et al., 2002
BacteriaStreptomyces Aureofaciens ETH 28832n/aSchoeller et al., 2002
BacteriaStreptomyces Coelicolor ATCC 21666n/aSchoeller et al., 2002
BacteriaStreptomyces Coelicolor DSM 40233n/aSchoeller et al., 2002
BacteriaStreptomyces Diastatochromogenes ETH 18822n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus ATCC 23345n/aSchoeller et al., 2002
BacteriaStreptomyces Griseus IFO 13849n/aSchoeller et al., 2002
BacteriaStreptomyces Hirsutus ATCC 19773n/aSchoeller et al., 2002
BacteriaStreptomyces Hirsutus ETH 1666n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus ATCC 27438n/aSchoeller et al., 2002
BacteriaStreptomyces Hygroscopicus IFO 13255n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus DSM 40091n/aSchoeller et al., 2002
BacteriaStreptomyces Murinus NRRL 8171n/aSchoeller et al., 2002
BacteriaStreptomyces Rishiriensis AMI 224n/aSchoeller et al., 2002
BacteriaStreptomyces Spp. AMI 240n/aSchoeller et al., 2002
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/aSchoeller et al., 2002
FungiAspergillus Flavus NRRL 18543n/aBeck et al., 2012
FungiAspergillus Flavus NRRL 25347n/aBeck et al., 2012
FungiAspergillus Niger NRRL 326n/aBeck et al., 2012
FungiAspergillus Parasiticus NRRL 5862n/aBeck et al., 2012
FungiPenicillium Commune Pittnain dry-cured meat products, cheeseSunesson et al., 1995
FungiPenicillium Glabrum NRRL 766n/aBeck et al., 2012
FungiPhialophora Fastigiata ConantnanaSunesson et al., 1995
FungiRhizopus Stolonifer NRRL 54667n/aBeck et al., 2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaActinomycetes Spp.n/an/a
BacteriaSaccharomonospora Rectivirgula DSM 43113Nutrient agar CM3GC/MS
BacteriaSaccharomonospora Viridis DSM 43017Nutrient agar CM3GC/MS
BacteriaSalinispora Tropica CNB-440seawater-based A1GC/MS
BacteriaStreptomyces Albidoflavus AMI 246n/an/a
BacteriaStreptomyces Albus Subsp. Pathocidicus IFO 13812n/an/a
BacteriaStreptomyces Antibioticus ETH 22014n/an/a
BacteriaStreptomyces Aureofaciens ETH 28832n/an/a
BacteriaStreptomyces Coelicolor ATCC 21666n/an/a
BacteriaStreptomyces Coelicolor DSM 40233n/an/a
BacteriaStreptomyces Diastatochromogenes ETH 18822n/an/a
BacteriaStreptomyces Griseus ATCC 23345n/an/a
BacteriaStreptomyces Griseus IFO 13849n/an/a
BacteriaStreptomyces Hirsutus ATCC 19773n/an/a
BacteriaStreptomyces Hirsutus ETH 1666n/an/a
BacteriaStreptomyces Hygroscopicus ATCC 27438n/an/a
BacteriaStreptomyces Hygroscopicus IFO 13255n/an/a
BacteriaStreptomyces Murinus DSM 40091n/an/a
BacteriaStreptomyces Murinus NRRL 8171n/an/a
BacteriaStreptomyces Rishiriensis AMI 224n/an/a
BacteriaStreptomyces Spp. AMI 240n/an/a
BacteriaStreptomyces Thermoviolaceus CBS 111.62n/an/a
FungiAspergillus Flavus NRRL 18543potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus Flavus NRRL 25347potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus Niger NRRL 326potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiAspergillus Parasiticus NRRL 5862potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiPenicillium Commune PittDG18GC/MS
FungiPenicillium Glabrum NRRL 766potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS
FungiPhialophora Fastigiata ConantDG18GC/MS
FungiRhizopus Stolonifer NRRL 54667potato dextrose agar and Polyunsaturated Fatty AcidsSPME/ GC-MS