Results for:
PubChem ID: 7710

5-pentyloxolan-2-one

Mass-Spectra

Compound Details

Synonymous names
gamma-Pelargonolactone
gamma-Nonanolactone
gamma-Pelargolactone
apricolin
Gamma-nonalactone
gamma-Nonylactone
gamma-Nonyllactone
OALYTRUKMRCXNH-UHFFFAOYSA-
OALYTRUKMRCXNH-UHFFFAOYSA-N
Prunolide
Coconut aldehyde
delta-n-Amylbutyrolactone
gamma-N-Amylbutyrolactone
gamma-Nonanolide
gamma-Nonlactone
Nonanoic lactone
4-Pentylbutanolide
Cocos aldehyde
gamma-Nonanoic lactone
gamma-Pentyl-gamma-butyrolactone
gamma-Amyl-gamma-butyrolactone
gamma-Nonalactone, analytical reference material
.gamma.-Amylbutyrolactone
4-Hydroxynonanoic acid lactone
4-Nonalactone
4-Nonanolide
AC1L1PDI
AC1Q6HFY
4-Pentyl-butanolide
.gamma.-Nonanolactone
4-Hydroxynonanoic acid gamma-lactone
.gamma.-Nonalactone
5-pentyltetrahydrofuran-2-one
AC1Q2VS3
.gamma.-n-Amylbutyrolactone
.gamma.-Nonalacton
.gamma.-Nonanolide
Nonan-4-olide
.gamma.-Nonanoic lactone
M521
1,4-Nonalolide
4-Hydroxynonanoic acid, gamma-lactone
Aldehyde C-18
N0285
5-pentyloxolan-2-one
CHEMBL191935
NSC24253
NSC46099
SCHEMBL112484
1,4-Nonyl lactone
4-Amyl-4-hydroxybutyric acid lactone
gamma-Nonanoic lactone, 97%
HSDB 5360
BBL027520
DTXSID0034229
FEMA Number 2781
Jsp000449
LP031984
LS-2984
Nonan-1,4-olide
STL373781
5-pentyl-tetrahydro-furan-2-one
5-Pentyl-.gamma.-lactone
AN-24686
DSSTox_GSID_34229
NSC 24253
NSC 46099
NSC-24253
NSC-46099
5-Pentyl-dihydro-furan-2-one
BB_NC-2032
BDBM50167995
DSSTox_CID_14229
DSSTox_RID_79128
LMFA07040021
MFCD00005403
.gamma.-Amyl-.gamma.-butyrolactone
4-Hydroxynonanoic acid, .gamma.-lactone
5-pentyldihydrofuran-2(3H)-one
AI3-02457
TR-001010
( -)-gamma-Nonalactone
AKOS015904806
J-001202
FEMA No. 2781
FT-0686718
5-Pentyldihydro-2(3H)-furanone #
DIHYDRO-5-PENTYL-2(3H)-FURANONE
Dihydro-5-pentylfuran-2(3H)-one
Nonanoic acid, 4-hydroxy-, gamma-lactone
Tox21_301039
104-61-0
Dihydro-5-pentyl-2(3H)-furanon
gamma-Nonanoic lactone, natural, 98%, FG
gamma-Nonanoic lactone, >=98%, FCC, FG
MCULE-8658118167
NCGC00164129-01
NCGC00164129-02
NCGC00254941-01
(3H)-Dihydro-5-pentyl-2-furanone
CAS-104-61-0
EINECS 203-219-1
57084-16-9
82373-92-0
EC 203-219-1
2(3H)-Furanone, dihydro-5-pentyl-
MolPort-000-856-082
Nonanoic acid, 4-hydroxy-, .gamma.-lactone
(.+/-.)-.gamma.-Nonalactone
InChI=1/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3
Microorganism:

Yes

IUPAC name5-pentyloxolan-2-one
SMILESCCCCCC1CCC(=O)O1
InchiInChI=1S/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3
FormulaC9H16O2
PubChem ID7710
Molweight156.225
LogP2.42
Atoms27
Bonds27
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationLactone lactones esters heterocyclic compounds

mVOC Specific Details

Volatilization
The Henry's Law constant for dihydro-5-pentyl-2(3H)-furanone is estimated as 1.7X10-4 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that dihydro-5-pentyl-2(3H)-furanone 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 10 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 7 days(SRC). Dihydro-5-pentyl-2(3H)-furanone is not expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 1.2X10-2 mm Hg(SRC), determined from a fragment constant method(3).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 30, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
Solubility
In water, 1201 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 30, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
Literature: #Soluble in alcohol, most fixed oils, propylene glycol; 1:1 in 60% alcohol
Literature: Burdock, G.A. (ed.). Fenaroli's Handbook of Flavor Ingredients. 6th ed.Boca Raton, FL 2010, p. 1480
Literature: #Soluble in five volumes of 50% alcohol; soluble in most fixed oils and mineral oil; practically insoluble in glycerol
Literature: Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 906
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of dihydro-5-pentyl-2(3H)-furanone can be estimated to be 120(SRC). According to a classification scheme(2), this estimated Koc value suggests that dihydro-5-pentyl-2(3H)-furanone is expected to have high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 30, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
1.18X10-2 mm Hg at 25 deg C (est)US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 30, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaDinoroseobacter Shibae Strain DFL-27n/aDickschat et al., 2005_4
BacteriaLoktanella Sp. Bio-204n/aDickschat et al., 2005_4
BacteriaDinoroseobacter Sp.n/aSchulz and Dickschat, 2007
BacteriaLoktanella Sp.n/aSchulz and Dickschat, 2007
BacteriaStigmatella Sp.n/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaDinoroseobacter Shibae Strain DFL-27n/an/a
BacteriaLoktanella Sp. Bio-204n/an/a
BacteriaDinoroseobacter Sp.n/an/a
BacteriaLoktanella Sp.n/an/a
BacteriaStigmatella Sp.n/an/a