Results for:
Species: Geniculosporium sp.

4-chloro-1,2-dimethoxybenzene

Mass-Spectra

Compound Details

Synonymous names
4-Chloro-1,2-dimethoxybenzene
16766-27-1
4-CHLOROVERATROLE
4-Chloro-1,2-dimethoxy-Benzene
Benzene, 4-chloro-1,2-dimethoxy-
1,2-Dimethoxy-4-chloro-benzene
MFCD01741851
3,4-dimethoxy chlorobenzene
SCHEMBL2127233
DTXSID10168342
Benzene, 4-chloro-1,2-dimethoxy
AMY28221
AKOS015917179
MCULE-1632236513
4-Chloro-2-methoxyphenol, methyl ether
SY333432
DB-064653
CS-0061908
EN300-39343
A18287
W17044
1X-0320
J-010383
Z361900384
Microorganism:

No

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
LogP2.7
Atoms11
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds benzenoids halogenated compounds chlorides ethers

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaGeniculosporium Sp.NAWang et al. 2013
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaGeniculosporium Sp.no


2H-furan-5-one

Mass-Spectra

Compound Details

Synonymous names
2(5H)-Furanone
497-23-4
Furan-2(5H)-one
BUTENOLIDE
Isocrotonolactone
2-Buten-4-olide
2-Butenolide
gamma-Crotonolactone
2H-furan-5-one
2-Oxo-2,5-dihydrofuran
Crotonolactone
4-Hydroxy-2-butenoic acid lactone
2-(5H)-furanone
gamma-Crotolactone
alpha,beta-Crotonolactone
delta,alpha,beta-Butenolide
gamma-Hydroxycrotonic acid lactone
5H-furan-2-one
but-2-en-4-olide
2-Butenoic acid gamma-lactone
2-Butenoic acid-gamma-lactone
.gamma.-Crotonolactone
2-Buten-1,4-olide
2,5-dihydrofuran-2-one
4-Hydroxycrotonic acid gamma-lactone
NSC 197009
2,5-Dihydrofuranone
2-Butenoic acid, 4-hydroxy-, gamma-lactone
MFCD00005376
4-Hydroxy-2-butenoic acid gamma-lactone
CHEMBL166223
CHEBI:38118
2-Butenoic acid-.gamma.-lactone
8KXK25H388
.delta.,.alpha.,.beta.-Butenolide
.gamma.-Hydroxycrotonic acid lactone
NSC-197009
4-Hydroxy-2-butenoic acid .gamma.-lactone
Crotonic acid, 4-hydroxy-, .gamma.-lactone
2-Butenoic acid, 4-hydroxy-, .gamma.-lactone
.DELTA..alpha.,.beta.-Butolide
2-Butenoic acid, .gamma.-lactone
.DELTA..alpha.,.beta.-Butenolide
CCRIS 5722
EINECS 207-839-3
BRN 0383585
UNII-8KXK25H388
g-Crotonolactone
?-Crotonolactone
5H-furanone
HSDB 8151
2_5H_furanone
CRATONE
.gamma.-Crotolactone
5 H-Furan-2-one
(5H)-furan-2-one
alpha,alpha,beta-Butolide
2(5H)FURANONE
.BETA.-CROTONOLACTONE
2(5H)-Furanone, 98%
5-17-09-00112 (Beilstein Handbook Reference)
laquo gammaRaquo -crotolactone
.alpha.,.beta.-Crotonolactone
Crotonic acid, 4-hydroxy-, gamma-lactone (6CI,7CI)
laquo gammaRaquo -crotonolactone
DTXSID7075422
FEMA NO. 4138
VIHAEDVKXSOUAT-UHFFFAOYSA-
BCP15247
NSC51296
BBL103594
BDBM50360798
NSC-51296
NSC197009
STL557404
AKOS000268618
CS-W008270
HY-W008270
laquo deltaRaquo ,alpha,beta-butenolide
MCULE-4296503663
SB60895
Crotonic acid, 4-hydroxy-, gamma-lactone
SY017893
2-Butenoic acid-laquo gammaRaquo -lactone
DB-027466
2-Oxo-2,5-dihydrofuran(2-[5H]-furanone)
5-OXO-2,5-DIHYDROFURAN-3-YL ESTER
A7404
AM20100212
NS00021175
EN300-80159
laquo gammaRaquo -hydroxycrotonic acid lactone
C17601
2(5H)-Furanone (laquo gammaRaquo -crotonolactone)
4-Hydroxy-2-butenoic acid laquo gammaRaquo -lactone
J-506134
Q4596886
Crotonic acid, 4-hydroxy-, laquo gammaRaquo -lactone
2-Butenoic acid, 4-hydroxy-, laquo gammaRaquo -lactone
Z1219048777
4-HYDROXY-2-BUTENOIC ACID .GAMMA.-LACTONE [FHFI]
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
Molweight84.07
LogP-0.6
Atoms6
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationalkenes esters heterocyclic compounds lactones
CHEBI-ID38118
Supernatural-IDSN0391056

mVOC Specific Details

Boiling Point
DegreeReference
86 °C peer reviewed
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

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaTuber BorchiiT. melanosporum, T. borchii were collected from northern Italy (Piedmont) and T. indicum from Yunnan and Sichuan Provinces (China). Splivallo et al. 2007b
EukaryotaGeniculosporium Sp.NACitron et al. 2012
EukaryotaHypoxylon SerpensNAEdwards and Whalley 1979
ProkaryotaBacillus SubtilisNANALee et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTuber Borchiiyes
EukaryotaGeniculosporium Sp.no
EukaryotaHypoxylon Serpensno
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno


1,5-dichloro-2,3-dimethoxybenzene

Compound Details

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

No

IUPAC name1,5-dichloro-2,3-dimethoxybenzene
SMILESCOC1=C(C(=CC(=C1)Cl)Cl)OC
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
LogP3.4
Atoms12
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationchlorides benzenoids ethers aromatic compounds halogenated compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaGeniculosporium Sp.NAWang et al. 2013
EukaryotaAnthracophyllum DiscolorNASchalchli et al. 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaGeniculosporium Sp.no
EukaryotaAnthracophyllum Discolorno