Results for:
Species: Geniculosporium

2H-furan-5-one

Mass-Spectra

Compound Details

Synonymous names
Isocrotonolactone
Crotonolactone
BUTENOLIDE
gamma-Crotonolactone
gamma-Crotolactone
VIHAEDVKXSOUAT-UHFFFAOYSA-
VIHAEDVKXSOUAT-UHFFFAOYSA-N
alpha,beta-Crotonolactone
gamma-Hydroxycrotonic acid lactone
delta,alpha,beta-Butenolide
2-Butenolide
4-Hydroxycrotonic acid lactone
AC1L1UZZ
5H-furanone
.gamma.-Crotonolactone
4-Hydroxycrotonic acid gamma-lactone
.gamma.-Crotolactone
.gamma.-Hydroxycrotonic acid lactone
2,5-Dihydrofuranone
C4H4O2
2 -Furanone
2-Butenoic acid gamma-lactone
2-Butenoic acid-gamma-lactone
KSC235S1R
2-B4O
4285AE
ACMC-209khu
2(5H)FURANONE
CTK1D5918
ACT09335
AN-650
CHEMBL166223
NSC51296
RP08216
5-hydrofuran-2-one
8KXK25H388
C17601
CCRIS 5722
2-Buten-4-olide
4-Hydroxy-2-butenoic acid lactone
AK163254
BC201413
DTXSID7075422
HE019789
HE265372
HE265373
NSC197009
SBB040281
ST092353
2(5H)-Furanone
2H-furan-5-one
5H-furan-2-one
CHEBI:38118
K-9234
UNII-8KXK25H388
ZINC1682476
.alpha.,.beta.-Crotonolactone
4-Hydroxy-2-butenoic acid gamma-lactone
AB0052652
ANW-30832
CJ-06322
CJ-27710
KB-15188
LS-70308
NSC-51296
SC-50260
TRA0035469
2-Butenoic acid-.gamma.-lactone
2(5H)-FURA
BDBM50360798
MFCD00005376
ZINC01682476
2-Oxo-2,5-dihydrofuran
2,5-dihydrofuran-2-one
AM20100212
but-2-en-4-olide
CS-W008270
DB-027466
NSC 197009
NSC-197009
RTC-068955
ST24047315
TC-068955
2-(5H)-furanone
2(5H)- furanone
AKOS000268618
AKOS025243284
Furan-2(5H)-one
J-506134
S14-1197
BRN 0383585
FT-0084775
FT-0608698
2-Butenoic acid, .gamma.-lactone
.DELTA..alpha.,.beta.-Butenolide
(5H)-furan-2-one
497-23-4
.DELTA..alpha.,.beta.-Butolide
4-Hydroxy-2-butenoic acid .gamma.-lactone
MCULE-4296503663
2(5H)-Furanone, 98%
EINECS 207-839-3
.delta.,.alpha.,.beta.-Butenolide
2-Buten-1,4-olide , gamma-Crotonolactone
2-Butenoic acid, 4-hydroxy-, gamma-lactone
Crotonic acid, 4-hydroxy-, .gamma.-lactone
MolPort-000-871-250
2-Butenoic acid, 4-hydroxy-, .gamma.-lactone
Crotonic acid, 4-hydroxy-, gamma-lactone (6CI,7CI)
5-17-09-00112 (Beilstein Handbook Reference)
InChI=1/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2
Microorganism:

Yes

IUPAC name2H-furan-5-one
SMILESC1C=CC(=O)O1
InchiInChI=1S/C4H4O2/c5-4-2-1-3-6-4/h1-2H,3H2
FormulaC4H4O2
PubChem ID10341
Molweight84.074
LogP0.54
Atoms10
Bonds10
H-bond Acceptor1
H-bond Donor0
Chemical Classificationalkenes esters lactones heterocyclic compounds

mVOC Specific Details

Volatilization
The Henry's Law constant for 2(5H)-furanone is estimated as 9.7X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 2(5H)-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 3.6 days(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 29 days(SRC). 2(5H)-Furanone's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). 2(5H)-Furanone is not expected to volatilize from dry soil surfaces(SRC) based upon a an estimated vapor pressure of 0.98 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) Lyman WJ; p. 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE, eds, Boca Raton, FL: CRC Press (1985)
Solubility
In water, 8.50X10+5 mg/L at 25 deg C (est)
Literature: US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 14, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of 2(5H)-furanone can be estimated to be 6(SRC). According to a classification scheme(2), this estimated Koc value suggests that 2(5H)-furanone is expected to have very high mobility in soil.
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011. Available from, as of Nov 25, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.981 mm Hg at 25 deg C (est)US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Nov 14, 2013: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm
MS-Links

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
FungiTuber BorchiiT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al., 2007b
Fungi GeniculosporiumCitron et al. 2012
Fungi Hypoxylon SerpensEdwards and Whalley 1979
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
FungiTuber BorchiiYes
Fungi Geniculosporiumno
Fungi Hypoxylon Serpensno


1,5-dichloro-2,3-dimethoxybenzene

Compound Details

Synonymous names
BCWABYVHGXOWHB-UHFFFAOYSA-N
AC1L1KBL
ZINC2014169
DTXSID20238080
1,3-Dichloro-4,5-dimethoxybenzene
1,5-DICHLORO-2,3-DIMETHOXYBENZENE
1,2-Dimethoxy-3,5-dichloro-benzene
1,5-Dichloro-2,3-dimethoxybenzene #
90283-01-5
Benzene, 3,5-dichloro-1,2-dimethoxy
Benzene, 1,5-dichloro-2,3-dimethoxy-
Microorganism:

Yes

IUPAC name1,5-dichloro-2,3-dimethoxybenzene
SMILESCOC1=CC(=CC(=C1OC)Cl)Cl
InchiInChI=1S/C8H8Cl2O2/c1-11-7-4-5(9)3-6(10)8(7)12-2/h3-4H,1-2H3
FormulaC8H8Cl2O2
PubChem ID56062
Molweight207.05
LogP2.87
Atoms20
Bonds20
H-bond Acceptor2
H-bond Donor0
Chemical Classificationhalogenated compounds benzenoids ethers

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Fungi Anthracophyllum DiscolorSchalchali et al. 2015
Fungi GeniculosporiumWang et al. 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Fungi Anthracophyllum Discolorno
Fungi Geniculosporiumno


4-chloro-1,2-dimethoxybenzene

Mass-Spectra

Compound Details

Synonymous names
RXJCXGJKJZARAW-UHFFFAOYSA-N
4-CHLOROVERATROLE
AC1L1EI1
AC1Q46VW
3,4-dimethoxy chlorobenzene
ACMC-209dww
V3700
CTK4D2729
A18287
1,2-dimethoxy-4-chlorobenzene
SCHEMBL2127233
4-Chloro-1,2-dimethoxybenzene
OR044152
ZINC2018299
AK-63372
ANW-22302
AJ-32655
DTXSID10168342
SC-48887
4-Chloro-2-methoxyphenol, methyl ether
ZINC02018299
1X-0320
MFCD01741851
1,2-Dimethoxy-4-chloro-benzene
DB-064653
TC-111047
4-Chloro-1,2-dimethoxy-Benzene
AKOS015917179
S01-0871
J-010383
FT-0686813
EN300-39343
Benzene,4-chloro-1,2-dimethoxy-
Benzene, 4-chloro-1,2-dimethoxy
MCULE-1632236513
16766-27-1
MolPort-002-861-038
Microorganism:

Yes

IUPAC name4-chloro-1,2-dimethoxybenzene
SMILESCOC1=C(C=C(C=C1)Cl)OC
InchiInChI=1S/C8H9ClO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,1-2H3
FormulaC8H9ClO2
PubChem ID28048
Molweight172.61
LogP2.26
Atoms20
Bonds20
H-bond Acceptor2
H-bond Donor0
Chemical Classificationhalogenated compounds benzenoids ethers

mVOC Specific Details


Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Fungi GeniculosporiumWang et al. 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Fungi Geniculosporiumno