Results for:
PubChem ID: 7710

5-pentyloxolan-2-one

Mass-Spectra

Compound Details

Synonymous names
104-61-0
Gamma-nonalactone
gamma-Nonanolactone
5-pentyldihydrofuran-2(3H)-one
5-pentyloxolan-2-one
2(3H)-Furanone, dihydro-5-pentyl-
Prunolide
gamma-Nonanolide
Nonan-1,4-olide
Cocos aldehyde
Coconut aldehyde
4-Nonanolide
1,4-Nonalolide
4-Pentyl-butanolide
Aldehyde C-18
DIHYDRO-5-PENTYL-2(3H)-FURANONE
FEMA No. 2781
gamma-Nonanoic lactone
rac-gamma-Nonanolactone
.gamma.-Nonalactone
.gamma.-n-Amylbutyrolactone
I1XGH66S8P
delta-n-Amylbutyrolactone
CHEMBL191935
DTXSID0034229
Dihydro-5-pentylfuran-2(3H)-one
MFCD00005403
NSC-24253
NSC-46099
apricolin
4-Hydroxynonanoic acid, .gamma.-lactone
4-Nonalactone
gamma-Nonylactone
gamma-Nonyllactone
Nonan-4-olide
82373-92-0
gamma-Pelargolactone
1,4-Nonyl lactone
FEMA Number 2781
gamma-N-Amylbutyrolactone
gamma-Amyl-gamma-butyrolactone
gamma-Pentyl-gamma-butyrolactone
HSDB 5360
EINECS 203-219-1
4-Amyl-4-hydroxybutyric acid lactone
4-Hydroxynonanoic acid, gamma-lactone
UNII-I1XGH66S8P
Nonanoic acid, 4-hydroxy-, gamma-lactone
AI3-02457
?-Nonalactone
4-Pentylbutanolide
.gamma.-Nonalacton
.gamma.-Nonanolide
?-Nonanoic lactone
4-Hydroxynonanoic acid gamma-lactone
NSC 24253
NSC 46099
gamma-Pelargonolactone
.gamma.-Nonanolactone
NONYL LACTONE
gamma -Nonanoic lactone
(r/s)-gamma-nonalactone
.gamma.-Amylbutyrolactone
.gamma.-Nonanoic lactone
5-Pentyl-.gamma.-lactone
EC 203-219-1
gamma-Nonanoic lactone, 97%
SCHEMBL112484
4-Hydroxynonanoic acid lactone
5-Pentyl-dihydro-furan-2-one
GAMMA-NONALACTONE [FCC]
DTXCID8014229
GAMMA-NONALACTONE [INCI]
5-pentyl-tetrahydro-furan-2-one
OALYTRUKMRCXNH-UHFFFAOYSA-
(.+/-.)-.gamma.-Nonalactone
5-Pentyldihydro-2(3H)-furanone
Dihydro-5-pentyl-2(3H)-furanon
.gamma.-Amyl-.gamma.-butyrolactone
.GAMMA.-NONALACTONE [FHFI]
NSC24253
NSC46099
(3H)-Dihydro-5-pentyl-2-furanone
5-Pentyldihydro-2(3H)-furanone #
Tox21_301039
BBL027520
BDBM50167995
LMFA07040021
STL373781
AKOS015904806
CS-W017997
DS-3247
MCULE-8658118167
DELTA-N-AMYLBUTYROLACTONE [HSDB]
gamma-NONALACTONE (ALDEHYDE C-18)
NCGC00164129-01
NCGC00164129-02
NCGC00254941-01
CAS-104-61-0
gamma-Nonanoic lactone, >=98%, FCC, FG
gamma-Nonanoic lactone, natural, 98%, FG
N0285
Nonanoic acid, 4-hydroxy-, .gamma.-lactone
NS00076561
D70273
EN300-342288
gamma-Nonalactone, analytical reference material
J-001202
Q11255995
Z1255430984
InChI=1/C9H16O2/c1-2-3-4-5-8-6-7-9(10)11-8/h8H,2-7H2,1H3
57084-16-9
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
Molweight156.22
LogP2.2
Atoms11
Bonds4
H-bond Acceptor2
H-bond Donor0
Chemical Classificationesters lactones
CHEBI-ID10575
Supernatural-IDSN0260153

mVOC Specific Details

Boiling Point
DegreeReference
134 °C peer reviewed
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
Massbank-Links

Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaLactobacillus Plantarumginkgo biloba kernel juicetriple quadrupole GC-MSno
ProkaryotaLoktanella Sp.n/an/ano
ProkaryotaDinoroseobacter Shibaen/an/ano
ProkaryotaStigmatella Sp.n/an/ano
ProkaryotaDinoroseobacter Sp.n/an/ano
EukaryotaZygosaccharomyces RouxiiYPD mediumGC-MSno
Cyberlindnera Fabianiituna cooking liquidHS-SPME-GC/MSno