Results for:
chemical Classification: ethers

4-ethenyl-2-methoxyphenol

Compound Details

Synonymous names
2-Methoxy-4-vinylphenol
7786-61-0
4-vinylguaiacol
p-Vinylguaiacol
4-ETHENYL-2-METHOXYPHENOL
4-Hydroxy-3-methoxystyrene
Phenol, 4-ethenyl-2-methoxy-
o-methoxy-p-vinylphenol
para-vinylguaiacol
Guaiacol, 4-vinyl-
p-Vinyl guaiacol
4-vinyl-2-methoxyphenol
Phenol, 2-methoxy-4-vinyl-
4-Hydroxy-3-methoxyvinylbenzene
2-METHOXY-4-VINYL-PHENOL
FEMA No. 2675
3-Methoxy-4-hydroxystyrene
Varamol 106
CCRIS 548
CHEBI:42438
Vinylcatechol-O-methyl ether, P-
UNII-DA069CTH0O
EINECS 232-101-2
2M4VP
DA069CTH0O
Guaiacol, 4-vinyl
BRN 2044521
4-hydroxy-3-methoxyphenylethene
DTXSID7052529
2-(4-hydroxy-3-methoxyphenyl)ethene
2-Methoxy-4-ethenylphenol
Phenol, 2-methoxy-4-ethenyl
Phenol, 4-vinyl, 2-methoxy
CHEMBL1232595
DTXCID8031102
(4-Hydroxy-3-methoxyphenyl)ethene
3-06-00-04981 (Beilstein Handbook Reference)
4-vinyl guaiacol
EUG
Vinyl guaiacol
p-Vinyl guaicol
4-vinylguaiacole
4-Ethenylguaiacol
4-Vinyl-O-guaiacol
2-Methoxy-vinylphenol
31853-85-7
2-Metoxy-4-vinyl-phenol
bmse010071
4-ethenyl-2-methoxy-phenol
SCHEMBL54199
2-?Methoxy-?4-?vinylphenol
BCP27800
Tox21_304024
BDBM50548720
MFCD00015437
AKOS015890494
DB03514
FS-3782
HY-W019940
MCULE-4834642824
2-methoxy-4-vinylphenol (vinylguaiacol)
2-METHOXY-4-VINYLPHENOL [FHFI]
2-Methoxy-4-vinylphenol, >=98%, FG
NCGC00357234-01
Vinylguaiacol (4-vinyl-2-methoxyphenol)
BP-11167
PD006849
CAS-7786-61-0
2-Methoxy-4-vinylphenol (4-vinylguaiacol)
4-Vinyl-2-methoxyphenol (4-vinylguaiacol)
DB-003488
2-Methoxy-4-vinylphenol, analytical standard
4-Vinyl-2-methoxyphenol ( p-vinylguaiacol)
AM20041169
CS-0031749
NS00005168
C17883
EN300-1832370
A839253
Q4596898
W-104295
2-METHOXY-4-VINYLPHENOL (STABILIZED WITH TBC)
4M4
Microorganism:

Yes

IUPAC name4-ethenyl-2-methoxyphenol
SMILESCOC1=C(C=CC(=C1)C=C)O
InchiInChI=1S/C9H10O2/c1-3-7-4-5-8(10)9(6-7)11-2/h3-6,10H,1H2,2H3
FormulaC9H10O2
PubChem ID332
Molweight150.17
LogP2.4
Atoms11
Bonds2
H-bond Acceptor2
H-bond Donor1
Chemical Classificationbenzenoids alkenes alcohols aromatic compounds ethers phenols
CHEBI-ID42438
Supernatural-IDSN0456029

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
EukaryotaSaccharomyces EubayanusNANAMardones et al. 2022
EukaryotaSaccharomyces EubayanusNANAUrbina et al. 2020
EukaryotaPhytophthora CinnamomiN/APhytophthora cinnamomiQiu R et al. 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
EukaryotaSaccharomyces EubayanusYPD agar media (yeast extract 1%, peptone 2%, glucose 2% and agar 2%)HS‐SPME‐GC‐MSno
EukaryotaSaccharomyces Eubayanusbeer wortHS-SPME-GC-MSno
EukaryotaPhytophthora CinnamomiV8 juice agarSPME/GC-MS/MSno


Sulfane

Compound Details

Synonymous names
hydrogen sulfide
sulfane
Hydrosulfuric acid
Dihydrogen monosulfide
Stink DAMP
Hydrogen sulphide
Dihydrogen sulfide
Sulfureted hydrogen
7783-06-4
Sewer gas
Hydrogene sulfure
Acide sulfhydrique
Schwefelwasserstoff
Netzschwefel
Zwavelwaterstof
Kolospray
Liquamat
Micowetsulf
Microflotox
Siarkowodor
Colsul
Crystex
Elosal
Hexasul
Kolofog
Kumulus
Sastid
Cosan
Hydrogen sulfide (H2S)
Polsulkol Extra
Hydrogen-sulfide
Idrogeno solforato
Corosul D and S
RC-Schwefel Extra
Hydrogen monosulfide
Kolloidschwefel 95
Sulfuretted hydrogen
Cosan 80
Hepatic acid
Hydrogene sulphure
Kolo 100
Acide sulphhydrique
RCRA waste number U135
Hydrogen sulfuric acid
dihydridosulfur
FEMA No. 3779
UN 1053
YY9FVM7NSN
CHEBI:16136
Hepatic gas
Hydrogen sulfure
H2S
dihydrogen(sulfide)
sulfure d'hydrogene
Sulfur-32S
HSDB 576
CHEBI:26833
UNII-YY9FVM7NSN
EINECS 231-977-3
NSC-403664
SULPHUR HYDROGENISATUM
DIHYDROGEN MONOSULPHIDE
DTXSID4024149
Collokit
Kristex
Microthiol
Shreesul
Kumulus FL
Sulfur-(32-S)
EC 231-977-3
Magnetic 6
Caswell No. 812
azufre
HYDROGEN SULFIDE (MART.)
HYDROGEN SULFIDE [MART.]
mercaptans
thiols
(SH2)
[SH2]
Proactiv
Transact
Schwefel, feinverteilter
Thiol
Sulfide, Hydrogen
Siarkowodor [Polish]
Hydrogen sulfide H2S
Magnetic 70, 90, and 95
HSDB 5166
Sulfur - S @ 0 microg/g in Heavy Mineral Oil
Sulfur - S @ 1.00 wt% in Heavy Mineral Oil
Sulfur Standard: S @ 10000 microg/mL in H2O
Sulfur Standard: S BLK (0 wt%) in Crude Oil
Zwavelwaterstof [Dutch]
Sulfur - S @ 500 microg/g in Heavy Mineral Oil
EINECS 231-722-6
NA1350
NA2448
UN1350
UN2448
Hydrogen sulfure [French]
RCRA waste no. U135
EPA Pesticide Chemical Code 077501
Hydrogene sulfure [French]
NSC 403664
Acide sulfhydrique [French]
monosulfane
Schwefelwasserstoff [German]
theion
Hydrosulfurate
Idrogeno solforato [Italian]
Acnaveen
Cuticura
Eskamel
Hepatate
Merkaptan
Schwefel
Acnil
Meted
Sulfur,sublimed
a thiol
Sulfur Standard: S @ 1000 microg/g (0.100 wt%) in Crude Oil
Sulfur Standard: S @ 10000 microg/g (1.00 wt%) in Crude Oil
Sulfur Standard: S @ 20000 microg/g (2.00 wt%) in Crude Oil
Sulfur Standard: S @ 2500 microg/g (0.250 wt%) in Crude Oil
Sulfur Standard: S @ 30000 microg/g (3.00 wt%) in Crude Oil
Sulfur Standard: S @ 40000 microg/g (4.00 wt%) in Crude Oil
Sulfur Standard: S @ 5000 microg/g (0.500 wt%) in Crude Oil
Sulfur Standard: S @ 50000 microg/g (5.00 wt%) in Crude Oil
Sulfur,colloidal
Sour gas
Sulfur, molten
37331-50-3
Colloidal sulphur
Dome-Acne
intracellular S0
Sulfur Standard: S @ 7500 microg/g (0.750 wt%) in 20 cSt Mineral Oil
Sulfur (Powder)
Sulfur, colloidal
Bensulfoid (TN)
Dihydrogen sulphide
Sulfur,precipitated
RSH
Sastid (TN)
UN1053
component of Bensulfoid
SULFUR DIHYDRIDE
Sour gas (Salt/Mix)
Sulfur (>80%)
Sulfur (>98%)
Magnetic 70, and 95
EC 231-722-6
SULPHURETTED HYDROGEN
HYDROGEN SULFIDE [MI]
SULFUR HYDRIDE (SH2)
DTXCID404149
Hydrogen sulfide, >=99.5%
HYDROGEN SULFIDE [FHFI]
HYDROGEN SULFIDE [HSDB]
CHEMBL1200739
CHEMBL2105487
NIOSH/MX1229000
CHEBI:29256
Sulfur Blank (0%) in Isooctane
PXQLVRUNWNTZOS-UHFFFAOYSA-N
DTXSID201029845
HYDROGEN SULFIDE, LIQUEFIED
HYDROGEN SULPHIDE, LIQUEFIED
Sulfur Blank (0 wt%) in Kerosene
Sulfur [NA1350] [Class 9]
BDBM50147625
BDBM50498447
NSC403664
Sulfur Blank (0 wt%) in Isooctane
SULPHUR HYDROGENISATUM [HPUS]
Hydrogen sulfide, purum, >=99.0%
AKOS015833648
AKOS015950634
Sulfur - S @15microg/g, 500 mL
Sulphur in Diesel, Low (7.2 mg/kg)
Sulfur [UN1350] [Flammable solid]
Sulfur Blank (0%) in Synthetic Diesel
Sulfur @ 7000microg/g in Residual Oil
BP-21056
Q682
Sulfur Blank (0%) in Heavy Mineral Oil
Sulfur Blank (0%) in Light Mineral Oil
Sulfur Blank (0%) in Odourless Kerosene
Sulfur, molten [NA2448] [Class 9]
Hydrogen sulfide [UN1053] [Poison gas]
Sulfur @ 0.0005% (5ppm) in Isooctane
Sulfur @ 0.001% (10ppm) in Isooctane
Sulfur @ 0.005% (50ppm) in Isooctane
Sulfur @ 0.01% (100ppm) in Isooctane
Sulfur @ 0.03% (300ppm) in Isooctane
Sulfur @ 0.05% (500ppm) in Isooctane
Sulfur @ 0.07% (700ppm) in Isooctane
Sulfur @ 0.1% (1000ppm) in Isooctane
Sulfur @ 0.3% (3000ppm) in Isooctane
Sulfur Blank (0 wt%) in #2 Diesel Fuel
MX12290000
NS00075432
PTP Sample for Sulfur in Isooctane Analysis
Sulfur - S @ 2.00 wt% in Heavy Mineral
Sulfur @ 0.0025% (25ppm) in Isooctane
Sulfur @ 0.025% (250ppm) in Isooctane
Sulfur @ 0.075% (750ppm) in Isooctane
Sulfur @ 0.25% (2500ppm) in Isooctane
Sulfur @ 10 microg/g, from Polysulfide Oil
U0149
Sulfur - S @ 2% in Residual Oil, 500mL
Sulfur, powder, 99.998% trace metals basis
C00087
C00283
D00024
F21255
Sulfur - S @ 0ug/g in Light Mineral, 1 gal
Sulfur - S @ 1% in Residual Oil, 1 Gallon
Sulfur - S @ 200microg/g in #2 Diesel fuel
Sulfur - S @ 4% in Residual Oil, 1 Gallon
Sulfur - S @ 400microg/g in #2 Diesel fuel
Sulfur - S @ 5% in Residual Oil, 1 Gallon
Sulfur @ 1% (10000ppm) in Synthetic Diesel
Sulfur @ 2% (20000ppm) in Synthetic Diesel
Sulfur @ 3% (30000ppm) in Synthetic Diesel
Sulfur @ 4% (40000ppm) in Synthetic Diesel
Sulfur @ 5% (50000ppm) in Synthetic Diesel
Sulfur Blank (0 wt%) in 20 cSt Mineral Oil
Sulfur Blank (0 wt%) in 75 cSt Mineral Oil
Sulfur, molten [UN2448] [Flammable solid]
di-n-butyl sulfide, S @ 22% nominally, 100g
Sulfur - S @ 2% in Resdidual Oil , 1 Gallon
Sulfur - S @ 3% in Residual Oil , 1 Gallon
Sulfur - S @ 3.00 wt% in Heavy Mineral Oil
Sulfur - S @ 4.00 wt% in Heavy Mineral Oil
Sulfur - S @ 400ug/g in #2 Diesel Fuel, L
Sulfur - S @ 5 microg/g in Heavy Mineral Oil
Sulfur - S @ 5.00 wt% in Heavy Mineral Oil
Sulfur @ 0.0005% (5ppm) in Synthetic Diesel
Sulfur @ 0.001% (10ppm) in Synthetic Diesel
Sulfur @ 0.005% (50ppm) in Synthetic Diesel
Sulfur @ 0.01% (100ppm) in Synthetic Diesel
Sulfur @ 0.03% (300ppm) in Synthetic Diesel
Sulfur @ 0.05% (500ppm) in Synthetic Diesel
Sulfur @ 0.07% (700ppm) in Synthetic Diesel
Sulfur @ 0.1% (1000ppm) in Synthetic Diesel
Sulfur @ 0.3% (3000ppm) in Synthetic Diesel
Sulfur @ 0.5% (5000ppm) in Synthetic Diesel
Sulfur @ 1% (10000ppm) in Odourless Kerosene
Sulfur @ 2% (20000ppm) in Odourless Kerosene
Sulfur @ 3% (30000ppm) in Odourless Kerosene
Sulfur @ 4% (40000ppm) in Odourless Kerosene
Sulfur @ 5% (50000ppm) in Odourless Kerosene
Sulfur in Residual Oil @ 10,000microg/g, 1L
Sulfur in Residual Oil @ 20,000microg/g, 1L
Sulfur in Residual Oil @ 30,000microg/g, 1L
Sulfur in Residual Oil @ 40,000microg/g, 1L
Sulfur in Residual Oil @ 50,000microg/g, 1L
Sulfur Standard: S @ 250microg/g in Isooctane
A857440
PTP Sample for Sulfur in #2 Diesel Fuel Analysis
PTP Sample for Sulfur in B100 Biodiesel Analysis
Q170591
Sulfur - S @ 0.300 wt% in Heavy Mineral Oil
Sulfur - S @ 0.500 wt% in Heavy Mineral Oil
Sulfur - S @ 0.750 wt% in Heavy Mineral Oil
Sulfur - S @ 0ug/g in #2 Diesel Fuel, 500mL
Sulfur - S @ 10 microg/g in Heavy Mineral Oil
Sulfur - S @ 100microg/g in Heavy Mineral Oil
Sulfur - S @ 1500microg/g in Heavy Mineral Oil
Sulfur - S @ 20 microg/g in Heavy Mineral Oil
Sulfur - S @ 200 microg/g in Heavy Mineral Oil
Sulfur - S @ 25 microg/g in Heavy Mineral Oil
Sulfur - S @ 2wt% in #2 Diesel Fuel, 1 Liter
Sulfur - S @ 3.00wt% in #2 Diesel, 500mL
Sulfur - S @ 3.00wt% in Residual Oil, 500mL
Sulfur - S @ 300 microg/g in Heavy Mineral Oil
Sulfur - S @ 4.00wt% in Residual Oil, 500mL
Sulfur - S @ 5.00wt% in Residual Oil, 500mL
Sulfur - S @ 50 microg/g in Heavy Mineral Oil
Sulfur - S @ 5ug/g in #2 Diesel Fuel, 1 Gal
Sulfur - S @ 5ug/g in #2 Diesel Fuel, 500mL
Sulfur - S @ 750 microg/g in Heavy Mineral Oil
Sulfur @ 0.0005% (5ppm) in Heavy Mineral Oil
Sulfur @ 0.0005% (5ppm) in Light Mineral Oil
Sulfur @ 0.0005% (5ppm) in Odourless Kerosene
Sulfur @ 0.001% (10ppm) in Heavy Mineral Oil
Sulfur @ 0.001% (10ppm) in Light Mineral Oil
Sulfur @ 0.001% (10ppm) in Odourless Kerosene
Sulfur @ 0.0025% (25ppm) in Synthetic Diesel
Sulfur @ 0.005% (50ppm) in Heavy Mineral Oil
Sulfur @ 0.005% (50ppm) in Light Mineral Oil
Sulfur @ 0.005% (50ppm) in Odourless Kerosene
Sulfur @ 0.01% (100ppm) in Heavy Mineral Oil
Sulfur @ 0.01% (100ppm) in Light Mineral Oil
Sulfur @ 0.01% (100ppm) in Odourless Kerosene
Sulfur @ 0.025% (250ppm) in Synthetic Diesel
Sulfur @ 0.03% (300ppm) in Heavy Mineral Oil
Sulfur @ 0.03% (300ppm) in Light Mineral Oil
Sulfur @ 0.03% (300ppm) in Odourless Kerosene
Sulfur @ 0.05% (500ppm) in Heavy Mineral Oil
Sulfur @ 0.05% (500ppm) in Light Mineral Oil
Sulfur @ 0.05% (500ppm) in Odourless Kerosene
Sulfur @ 0.07% (700ppm) in Heavy Mineral Oil
Sulfur @ 0.07% (700ppm) in Light Mineral Oil
Sulfur @ 0.07% (700ppm) in Odourless Kerosene
Sulfur @ 0.075% (750ppm) in Synthetic Diesel
Sulfur @ 0.1% (1000ppm) in Heavy Mineral Oil
Sulfur @ 0.1% (1000ppm) in Light Mineral Oil
Sulfur @ 0.1% (1000ppm) in Odourless Kerosene
Sulfur @ 0.25% (2500ppm) in Synthetic Diesel
Sulfur @ 0.3% (3000ppm) in Heavy Mineral Oil
Sulfur @ 0.3% (3000ppm) in Light Mineral Oil
Sulfur @ 0.3% (3000ppm) in Odourless Kerosene
Sulfur @ 0.5% (5000ppm) in Heavy Mineral Oil
Sulfur @ 0.5% (5000ppm) in Light Mineral Oil
Sulfur @ 0.5% (5000ppm) in Odourless Kerosene
Sulfur @ 1% (10000ppm) in Heavy Mineral Oil
Sulfur @ 1% (10000ppm) in Light Mineral Oil
Sulfur @ 1.5% (15000ppm) in Synthetic Diesel
Sulfur @ 2% (20000ppm) in Heavy Mineral Oil
Sulfur @ 2% (20000ppm) in Light Mineral Oil
Sulfur @ 3% (30000ppm) in Heavy Mineral Oil
Sulfur @ 3% (30000ppm) in Light Mineral Oil
Sulfur @ 3500microg/g in Residual Oil, 100mL
Sulfur @ 4% (40000ppm) in Heavy Mineral Oil
Sulfur @ 4% (40000ppm) in Light Mineral Oil
Sulfur @ 5% (50000ppm) in Heavy Mineral Oil
Sulfur @ 5% (50000ppm) in Light Mineral Oil
Sulfur @ 7000microg/g in Residual Oil, 500mL
Sulfur Standard: S @ 250 microg/g in Isooctane
Q7636182
Sulfur - S @ 0ug/g in #2 Diesel Fuel, 1 gallon
Sulfur - S @ 0ug/g in Light Mineral Oil, 500mL
Sulfur - S @ 1.00wt% in Residual Oil, 500mL
Sulfur - S @ 1000 microg/g in Heavy Mineral Oil
Sulfur - S @ 10ug/g in #2 Diesel Fuel, 1 Gal
Sulfur - S @ 10ug/g in #2 Diesel Fuel, 500mL
Sulfur - S @ 15ug/g in #2 Diesel Fuel, 1 Gal
Sulfur - S @ 15ug/g in #2 Diesel Fuel, 500mL
Sulfur - S @ 20ug/g in #2 Diesel Fuel, 500mL
Sulfur - S @ 25ug/g in #2 Diesel Fuel, 1 Gal
Sulfur - S @ 25ug/g in #2 Diesel Fuel, 500mL
Sulfur - S @ 300ug/g in #2 Diesel Fuel, 50mL
Sulfur - S @ 5000microg/g in Residual Oil, 1L
Sulfur - S @ 500ug/g in #2 Diesel Fuel, 50mL
Sulfur - S @ 50ug/g in #2 Diesel Fuel, 500mL
Sulfur - S @ 5ug/g in Light Mineral Oil, 500mL
Sulfur - S @ 75ug/g in #2 Diesel Fuel, 500mL
Sulfur @ 0.0025% (25ppm) in Heavy Mineral Oil
Sulfur @ 0.0025% (25ppm) in Light Mineral Oil
Sulfur @ 0.0025% (25ppm) in Odourless Kerosene
Sulfur @ 0.025% (250ppm) in Heavy Mineral Oil
Sulfur @ 0.025% (250ppm) in Light Mineral Oil
Sulfur @ 0.025% (250ppm) in Odourless Kerosene
Sulfur @ 0.075% (750ppm) in Heavy Mineral Oil
Sulfur @ 0.075% (750ppm) in Light Mineral Oil
Sulfur @ 0.075% (750ppm) in Odourless Kerosene
Sulfur @ 0.25% (2500ppm) in Heavy Mineral Oil
Sulfur @ 0.25% (2500ppm) in Light Mineral Oil
Sulfur @ 0.25% (2500ppm) in Odourless Kerosene
Sulfur @ 1.5% (15000ppm) in Heavy Mineral Oil
Sulfur @ 1.5% (15000ppm) in Light Mineral Oil
Sulfur @ 1.5% (15000ppm) in Odourless Kerosene
ASTM D5453 Curve 1, S @ 0.5-10ppm in p-xylene
ASTM D5453 Curve 2, S @ 5-100 ppm in isooctane
ASTM D5453 Curve 2, S @ 5-100 ppm in p-xylene
PTP Sample for Sulfur in 20 cSt Mineral Oil Analysis
Q60998679
Sulfur - S @ 400ug/g in #2 Diesel Fuel, 250mL
Sulfur - S @ 1.00wt% in #2 Diesel Fuel, 1 Gal
Sulfur - S @ 1.00wt% in #2 Diesel Fuel, 1 Liter
Sulfur - S @ 1.00wt% in #2 Diesel Fuel, 500mL
Sulfur - S @ 1.0wt% in Light Mineral Oil, 500mL
Sulfur - S @ 100ug/g in #2 Diesel Fuel, 500mL
Sulfur - S @ 100ug/g in Light Mineral Oil, 500mL
Sulfur - S @ 10ug/g in #2 Diesel Fuel, 1 Liter
Sulfur - S @ 10ug/g in Light Mineral Oil, 500mL
Sulfur - S @ 15ug/g in #2 Diesel Fuel, 1 Liter
Sulfur - S @ 15ug/g in Light Mineral Oil, 500mL
Sulfur - S @ 2.00wt% in #2 Diesel Fuel, 500mL
Sulfur - S @ 200ug/g in #2 Diesel Fuel, 500mL
Sulfur - S @ 200ug/g in Light Mineral Oil, 500mL
Sulfur - S @ 20microg/g in #2 Diesel Fuel, 1 Gal
Sulfur - S @ 20ug/g in Light Mineral Oil, 500mL
Sulfur - S @ 25ug/g in #2 Diesel Fuel, 1 Liter
Sulfur - S @ 25ug/g in Light Mineral Oil, 500mL
Sulfur - S @ 3,500ug/g in Residual Oil, 500mL
Sulfur - S @ 300ug/g in #2 Diesel Fuel, 500mL
Sulfur - S @ 4.00wt% in #2 Diesel Fuel, 500mL
Sulfur - S @ 400ug/g in #2 Diesel Fuel, 1 Gal
Sulfur - S @ 400ug/g in #2 Diesel Fuel, 500mL
Sulfur - S @ 5,000ug/g in Residual Oil, 1 Gallon
Sulfur - S @ 5.00wt% in #2 Diesel Fuel, 500mL
Sulfur - S @ 5000microg/g in #2 Diesel, 500mL
Sulfur - S @ 5000microg/g in Residual Oil, 500mL
Sulfur - S @ 500ug/g in #2 Diesel Fuel, 1 Gal
Sulfur - S @ 500ug/g in #2 Diesel Fuel, 500mL
Sulfur - S @ 500ug/g in Light Mineral Oil, 500mL
Sulfur - S @ 50ug/g in Light Mineral Oil, 500mL
Sulfur - S @ 750ug/g in #2 Diesel Fuel, 1 Gal
Sulfur - S @ 750ug/g in #2 Diesel Fuel, 1 Liter
Sulfur - S @ 750ug/g in #2 Diesel Fuel, 500mL
Sulfur - S @ 75microg/g in #2 Diesel Fuel, 1 Gal
Sulfur - S @ 75ug/g in Light Mineral Oil, 500mL
Sulfur - S @0.050wt% in #2 Diesel Fuel, 1 Liter
Sulfur - S @0.300wt% in #2 Diesel Fuel, 1 Liter
Sulfur - S @0.500wt% in #2 Diesel Fuel, 1 Liter
Sulfur @ 500microg/g in #2 Diesel Fuel, 1/2Gallon
Sulfur Calibration Set: S @ 0-100 mg/kg in Toluene
Sulfur Calibration Set: S @ 0-50 mg/kg in Toluene
Sulfur Standard: S @ 10 microg/g in B100 Biodiesel
Sulfur Standard: S @ 15 microg/g in B100 Biodiesel
Sulfur Standard: S @ 20 microg/g in B100 Biodiesel
Sulfur Standard: S @ 25 microg/g in B100 Biodiesel
Sulfur Standard: S @ 5 microg/g in B100 Biodiesel
Sulfur Standard: S @ 50 microg/g in B100 Biodiesel
Sulfur, S @ 3000 ug/g in #2 Diesel Fuel, 1 Gal
ASTM D5453 Curve 1, S @ 0.5 -10ppm in isooctane
ASTM D5453 Curve 1, S @ 0.5 -10ppm in Toluene
ASTM D5453 Curve 2, S @ 5 -100 ppm in Toluene
Sulfur - S @ 2.00wt% in Light Mineral Oil, 500mL
Sulfur - S @ 3.00wt% in Light Mineral Oil, 500mL
Sulfur - S @ 4.00wt% in Light Mineral Oil, 500mL
Sulfur - S @ 0.100wt% in #2 Diesel Fuel, 1 Liter
Sulfur - S @ 0.100wt% in #2 Diesel Fuel, 500mL
Sulfur - S @ 0.300wt% in #2 Diesel Fuel, 500mL
Sulfur - S @ 0.750wt% in #2 Diesel Fuel, 500mL
Sulfur - S @ 1,000ug/g in #2 Diesel Fuel, 1 Gal
Sulfur - S @ 1000ug/g in Light Mineral Oil, 500mL
Sulfur - S @ 200microg/g in #2 Diesel Fuel, 1 Gal
Sulfur - S @ 4000microg/g in 75 cSt Oil Heavy Oil
Sulfur - S @ 5,000ug/g in #2 Diesel Fuel, 1 Gal
Sulfur - S @ 5.00wt% in Light Mineral Oil, 500mL
Sulfur - S @ 5000ug/g in Light Mineral Oil, 500mL
Sulfur - S @ 5microg/g in 90% Isooctane/10% Ethanol
Sulfur - S @0.0100wt% in #2 Diesel Fuel, 1 Liter
Sulfur Calibration Set: S @ 0-100 mg/kg in Isooctane
Sulfur Standard: S @ 100 microg/g in B100 Biodiesel
Sulfur Standard: S @ 500 microg/g in B100 Biodiesel
ASTM D5453 Curve 3, S @ 100 -1000 ppm in Toluene
ASTM D5453 Curve 3, S @ 100-1000 ppm in isooctane
ASTM D5453 Curve 3, S @ 100-1000 ppm in p-xylene
Sulfur - S @ 0.150wt% S in #2 Diesel Fuel, 500mL
Sulfur - S @ 100microg/g in 90% Isooctane/10% Ethanol
Sulfur - S @ 10microg/g in 90% Isooctane/10% Ethanol
Sulfur - S @ 15microg/g in 90% Isooctane/10% Ethanol
Sulfur - S @ 20 microg/g in 90% Isooctane/10% Ethanol
Sulfur - S @ 200 microg/g in 90% Isooctane/10% Ethanol
Sulfur - S @ 250 microg/g in 90% Isooctane/10% Ethanol
Sulfur - S @ 25microg/g in 90% Isooctane/10% Ethanol
Sulfur - S @ 300 microg/g in 90% Isooctane/10% Ethanol
Sulfur - S @ 50microg/g in 90% Isooctane/10% Ethanol
Sulfur - S @ 75microg/g in 90% Isooctane/10% Ethanol
Sulfur - S @0.00050wt% in #2 Diesel Fuel, 1 Liter
F5FD384D-E823-4920-B313-6476A1F3F0C5
Polysulfide Oil Standard: 30,000 microg/g S in Mineral Oil
Polysulfide Oil Standard: 40,000 microg/g S in Mineral Oil
Sulfur - S @ 1500microg/g in Light Mineral Oil, 500mLs
Sulfur - S @ 3000microg/g in Light Mineral Oil, 500mLs
Sulfur - S @ 300microg/g in Light Mineral Oil, 500mLs
Sulfur - S @ 400microg/g in Light Mineral Oil, 500mLs
Sulfur - S @ 750microg/g in Light Mineral Oil, 500mLs
Sulfur - S @ 0 microg/g (blank) in #2 Diesel Fuel, 1 Liter
Sulfur Calibration Set: S @ 0-10 mg/Kg in Synthetic Diesel
Sulfur Calibration Set: S @ 0-25 mg/kg in Synthetic Diesel
Sulfur Standard: S @ 10 microg/g (0.0010 wt%) in Isooctane
Sulfur Standard: S @ 10 microg/g (0.0010 wt%) in Kerosene
Sulfur Standard: S @ 10 ug/g in 70% Isooctane/30% Toluene
Sulfur Standard: S @ 10 ug/g in 75% Isooctane/25% Toluene
Sulfur Standard: S @ 10 ug/g in 80% Isooctane/20% Toluene
Sulfur Standard: S @ 100 ug/g in 70% Isooctane/30% Toluene
Sulfur Standard: S @ 100 ug/g in 75% Isooctane/25% Toluene
Sulfur Standard: S @ 100 ug/g in 80% Isooctane/20% Toluene
Sulfur Standard: S @ 15 microg/g (0.0015 wt%) in Isooctane
Sulfur Standard: S @ 15 ug/g in 70% Isooctane/30% Toluene
Sulfur Standard: S @ 15 ug/g in 75% Isooctane/25% Toluene
Sulfur Standard: S @ 15 ug/g in 80% Isooctane/20% Toluene
Sulfur Standard: S @ 20 microg/g (0.0020 wt%) in Isooctane
Sulfur Standard: S @ 20 ug/g in 70% Isooctane/30% Toluene
Sulfur Standard: S @ 20 ug/g in 75% Isooctane/25% Toluene
Sulfur Standard: S @ 20 ug/g in 80% Isooctane/20% Toluene
Sulfur Standard: S @ 25 microg/g (0.0025 wt%) in Isooctane
Sulfur Standard: S @ 25 ug/g in 70% Isooctane/30% Toluene
Sulfur Standard: S @ 25 ug/g in 75% Isooctane/25% Toluene
Sulfur Standard: S @ 25 ug/g in 80% Isooctane/20% Toluene
Sulfur Standard: S @ 250 microg/g (0.0250 wt%) in Diesel
Sulfur Standard: S @ 250 ug/g in 80% Isooctane/20% Toluene
Sulfur Standard: S @ 2500 microg/g (0.2500 wt%) in Diesel
Sulfur Standard: S @ 5 microg/g (0.0005 wt%) in Isooctane
Sulfur Standard: S @ 5 microg/g (0.0005 wt%) in Kerosene
Sulfur Standard: S @ 5 ug/g in 70% Isooctane/30% Toluene
Sulfur Standard: S @ 5 ug/g in 75% Isooctane/25% Toluene
Sulfur Standard: S @ 5 ug/g in 80% Isooctane/20% Toluene
Sulfur Standard: S @ 50 microg/g (0.0050 wt%) in Isooctane
Sulfur Standard: S @ 50 microg/g (0.0050 wt%) in Kerosene
Sulfur Standard: S @ 50 ug/g in 70% Isooctane/30% Toluene
Sulfur Standard: S @ 50 ug/g in 75% Isooctane/25% Toluene
Sulfur Standard: S @ 50 ug/g in 80% Isooctane/20% Toluene
Sulfur Standard: S @ 500 ug/g in 70% Isooctane/30% Toluene
Sulfur Standard: S @ 500 ug/g in 80% Isooctane/20% Toluene
Sulfur Standard: S @ 75 microg/g (0.0075 wt%) in Isooctane
Sulfur Standard: S @ 75 ug/g in 70% Isooctane/30% Toluene
Sulfur Standard: S @ 75 ug/g in 80% Isooctane/20% Toluene
IP 336, Sulfur Set D in Heavy Mineral Oil: S @ 2, 3, 4, 5 %
IP 336, Sulfur Set D in Light Mineral Oil: S @ 2, 3, 4, 5 %
IP 336, Sulfur Set D in Odourless Kerosene: S @ 2, 3, 4, 5 %
IP 336, Sulfur Set D in Synthetic Diesel: S @ 2, 3, 4, 5 %
Polysulfide Oil Standard: 100 microg/g S in 13 cSt Mineral Oil
Polysulfide Oil Standard: 15 microg/g S in 13 cSt Mineral Oil
Polysulfide Oil Standard: 20,000 microg/g S in 13 cSt Mineral Oil
Polysulfide Oil Standard: 250 microg/g S in 13 cSt Mineral Oil
Polysulfide Oil Standard: 300 microg/g S in 13 cSt Mineral Oil
Polysulfide Oil Standard: 50 microg/g S in 13 cSt Mineral Oil
Polysulfide Oil Standard: 5000 microg/g S in 13 cSt Mineral Oil
Polysulfide Oil Standard: 750 microg/g S in 13 cSt Mineral Oil
Polysulfide Oil Standard: S @ 1500 microg/g in 13 cSt Mineral Oil
Polysulfide Oil Standard: S @ 20 microg/g in 13 cSt Mineral Oil
Polysulfide Oil Standard: S @ 200 microg/g in 13 cSt Mineral Oil
Polysulfide Oil Standard: S @ 25 microg/g in 13 cSt Mineral Oil
Polysulfide Oil Standard: S @ 3000 microg/g in 13 cSt Mineral Oil
Polysulfide Oil Standard: S @ 400 microg/g in 13 cSt Mineral Oil
Polysulfide Oil Standard: S @ 75 microg/g in 13 cSt Mineral Oil
Sulfur Calibration Set: S @ 25-1000 mg/Kg in Synthetic Diesel
Sulfur Standard: S @ 100 microg/g (0.0100 wt%) in Isooctane
Sulfur Standard: S @ 100 microg/g (0.0100 wt%) in Kerosene
Sulfur Standard: S @ 1000 microg/g (0.100 wt%) in Isooctane
Sulfur Standard: S @ 1000 microg/g (0.100 wt%) in Kerosene
Sulfur Standard: S @ 1000 ug/g in 70% Isooctane/30% Toluene
Sulfur Standard: S @ 10000 microg/g (1.00 wt%) in Residual Oil
Sulfur Standard: S @ 200 microg/g (0.0200 wt%) in Isooctane
Sulfur Standard: S @ 20000 microg/g (2.00 wt%) in Residual Oil
Sulfur Standard: S @ 250 microg/g (0.0250 wt%) in Kerosene
Sulfur Standard: S @ 300 microg/g (0.0300 wt%) in Isooctane
Sulfur Standard: S @ 300 microg/g (0.0300 wt%) in Kerosene
Sulfur Standard: S @ 3000 microg/g (0.300 wt%) in Isooctane
Sulfur Standard: S @ 3000 microg/g (0.300 wt%) in Kerosene
Sulfur Standard: S @ 30000 microg/g (3.00 wt%) in Residual Oil
Sulfur Standard: S @ 400 microg/g (0.0400 wt%) in Isooctane
Sulfur Standard: S @ 40000 microg/g (4.00 wt%) in Residual Oil
Sulfur Standard: S @ 5 microg/g (0.0005 wt%) in #2 Diesel Fuel
Sulfur Standard: S @ 500 microg/g (0.0500 wt%) in Isooctane
Sulfur Standard: S @ 500 microg/g (0.0500 wt%) in Kerosene
Sulfur Standard: S @ 5000 microg/g (0.500 wt%) in Residual Oil
Sulfur Standard: S @ 50000 microg/g (5.00 wt%) in Residual Oil
Sulfur Standard: S @ 750 microg/g (0.0750 wt%) in Isooctane
Sulfur Standard: S @ 750 microg/g (0.0750 wt%) in Kerosene
Total Sulfur by UV Fluorescence Set for ASTM D5453 - in toluene
Total Sulfur by UV Fluorescence Set for ASTM D5453 -in toluene
ASTM D2622, Sulfur Set C in Heavy Mineral Oil: S @ 1, 2, 3, 4, 5 %
ASTM D2622, Sulfur Set C in Light Mineral Oil: S @ 1, 2, 3, 4, 5 %
ASTM D2622, Sulfur Set C in Odourless Kerosene: S @ 1, 2, 3, 4, 5 %
ASTM D2622, Sulfur Set C in Synthetic Diesel: S @ 1, 2, 3, 4, 5 %
ASTM D4294, Sulfur Set C in Heavy Mineral Oil: S @ 1, 2, 3, 4, 5 %
ASTM D4294, Sulfur Set C in Light Mineral Oil: S @ 1, 2, 3, 4, 5 %
ASTM D4294, Sulfur Set C in Odourless Kerosene: S @ 1, 2, 3, 4, 5 %
ASTM D4294, Sulfur Set C in Synthetic Diesel: S @ 1, 2, 3, 4, 5 %
ASTM D5453 Curve 1, S @ 0.5 -10ppm in 75% Isooctane/25% Toluene
ASTM D5453 Curve 2, S @ 5 -100 ppm in 75% Isooctane/25% Toluene
ASTM D5453 Curve 3, S @ 100 -1000 ppm in 75% Isooctane/25% Toluene
IP 336, Sulfur Set C in Heavy Mineral Oil: S @ 0.5, 1, 1.5, 2 %
IP 336, Sulfur Set C in Light Mineral Oil: S @ 0.5, 1, 1.5, 2 %
IP 336, Sulfur Set C in Odourless Kerosene: S @ 0.5, 1, 1.5, 2 %
IP 336, Sulfur Set C in Synthetic Diesel: S @ 0.5, 1, 1.5, 2 %
Mercaptan Sulphur in Hydrocarbons, Jet Aviation Fuel (Nominal: 15.2 mg/kg)
Sulfur Standard: S @ 10 microg/g (0.0010 wt%) in #2 Diesel Fuel
Sulfur Standard: S @ 10 microg/g (0.0010 wt%) in 20 cSt Mineral Oil
Sulfur Standard: S @ 10 microg/g (0.0010 wt%) in 75 cSt Mineral Oil
Sulfur Standard: S @ 100 microg/g (0.0100 wt%) in #2 Diesel Fuel
Sulfur Standard: S @ 100 microg/g (0.0100 wt%) in 20 cSt Mineral Oil
Sulfur Standard: S @ 100 microg/g (0.0100 wt%) in 75 cSt Mineral Oil
Sulfur Standard: S @ 1000 microg/g (0.100 wt%) in #2 Diesel Fuel
Sulfur Standard: S @ 1000 microg/g (0.100 wt%) in 20 cSt Mineral Oil
Sulfur Standard: S @ 1000 microg/g (0.100 wt%) in 75 cSt Mineral Oil
Sulfur Standard: S @ 1000 ug/g (0.1 wt%) in 80% Isooctane/20% Toluene
Sulfur Standard: S @ 10000 microg/g (1.00 wt%) in #2 Diesel Fuel
Sulfur Standard: S @ 10000 microg/g (1.00 wt%) in 20 cSt Mineral Oil
Sulfur Standard: S @ 10000 microg/g (1.00 wt%) in 75 cSt Mineral Oil
Sulfur Standard: S @ 15 microg/g (0.0015 wt%) in #2 Diesel Fuel
Sulfur Standard: S @ 15 microg/g (0.0015 wt%) in 20 cSt Mineral Oil
Sulfur Standard: S @ 15 microg/g (0.0015 wt%) in 75 cSt Mineral Oil
Sulfur Standard: S @ 1500 microg/g (0.150 wt%) in #2 Diesel Fuel
Sulfur Standard: S @ 1500 microg/g (0.150 wt%) in 20 cSt Mineral Oil
Sulfur Standard: S @ 1500 microg/g (0.150 wt%) in 75 cSt Mineral Oil
Sulfur Standard: S @ 20 microg/g (0.0020 wt%) in #2 Diesel Fuel
Sulfur Standard: S @ 20 microg/g (0.0020 wt%) in 20 cSt Mineral Oil
Sulfur Standard: S @ 20 microg/g (0.0020 wt%) in 75 cSt Mineral Oil
Sulfur Standard: S @ 200 microg/g (0.0200 wt%) in #2 Diesel Fuel
Sulfur Standard: S @ 200 microg/g (0.0200 wt%) in 20 cSt Mineral Oil
Sulfur Standard: S @ 200 microg/g (0.0200 wt%) in 75 cSt Mineral Oil
Sulfur Standard: S @ 20000 microg/g (2.00 wt%) in #2 Diesel Fuel
Sulfur Standard: S @ 20000 microg/g (2.00 wt%) in 20 cSt Mineral Oil
Sulfur Standard: S @ 20000 microg/g (2.00 wt%) in 75 cSt Mineral Oil
Sulfur Standard: S @ 25 microg/g (0.0025 wt%) in #2 Diesel Fuel
Sulfur Standard: S @ 25 microg/g (0.0025 wt%) in 20 cSt Mineral Oil
Sulfur Standard: S @ 25 microg/g (0.0025 wt%) in 75 cSt Mineral Oil
Sulfur Standard: S @ 250 microg/g (0.0250 wt%) in 20 cSt Mineral Oil
Sulfur Standard: S @ 250 microg/g (0.0250 wt%) in 75 cSt Mineral Oil
Sulfur Standard: S @ 250 microg/g in Isooctane (75%) & Toluene (25%)
Sulfur Standard: S @ 2500 microg/g (0.2500 wt%) in 20 cSt Mineral Oil
Sulfur Standard: S @ 2500 microg/g (0.2500 wt%) in 75 cSt Mineral Oil
Sulfur Standard: S @ 250microg/g in Isooctane (70%) and Toluene (30%)
Sulfur Standard: S @ 300 microg/g (0.0300 wt%) in #2 Diesel Fuel
Sulfur Standard: S @ 300 microg/g (0.0300 wt%) in 20 cSt Mineral Oil
Sulfur Standard: S @ 300 microg/g (0.0300 wt%) in 75 cSt Mineral Oil
Sulfur Standard: S @ 3000 microg/g (0.300 wt%) in #2 Diesel Fuel
Sulfur Standard: S @ 3000 microg/g (0.300 wt%) in 20 cSt Mineral Oil
Sulfur Standard: S @ 3000 microg/g (0.300 wt%) in 75 cSt Mineral Oil
Sulfur Standard: S @ 30000 microg/g (3.00 wt%) in #2 Diesel Fuel
Sulfur Standard: S @ 30000 microg/g (3.00 wt%) in 20 cSt Mineral Oil
Sulfur Standard: S @ 30000 microg/g (3.00 wt%) in 75 cSt Mineral Oil
Sulfur Standard: S @ 400 microg/g (0.0400 wt%) in #2 Diesel Fuel
Sulfur Standard: S @ 400 microg/g (0.0400 wt%) in 20 cSt Mineral Oil
Sulfur Standard: S @ 400 microg/g (0.0400 wt%) in 75 cSt Mineral Oil
Sulfur Standard: S @ 40000 microg/g (4.00 wt%) in #2 Diesel Fuel
Sulfur Standard: S @ 40000 microg/g (4.00 wt%) in 20 cSt Mineral Oil
Sulfur Standard: S @ 40000 microg/g (4.00 wt%) in 75 cSt Mineral Oil
Sulfur Standard: S @ 5 microg/g (0.0005 wt%) in 20 cSt Mineral Oil
Sulfur Standard: S @ 5 microg/g (0.0005 wt%) in 75 cSt Mineral Oil
Sulfur Standard: S @ 50 microg/g (0.0050 wt%) in #2 Diesel Fuel
Sulfur Standard: S @ 50 microg/g (0.0050 wt%) in 20 cSt Mineral Oil
Sulfur Standard: S @ 50 microg/g (0.0050 wt%) in 75 cSt Mineral Oil
Sulfur Standard: S @ 500 microg/g (0.0500 wt%) in #2 Diesel Fuel
Sulfur Standard: S @ 500 microg/g (0.0500 wt%) in 20 cSt Mineral Oil
Sulfur Standard: S @ 500 microg/g (0.0500 wt%) in 75 cSt Mineral Oil
Sulfur Standard: S @ 5000 microg/g (0.500 wt%) in #2 Diesel Fuel
Sulfur Standard: S @ 5000 microg/g (0.500 wt%) in 20 cSt Mineral Oil
Sulfur Standard: S @ 5000 microg/g (0.500 wt%) in 75 cSt Mineral Oil
Sulfur Standard: S @ 50000 microg/g (5.00 wt%) in #2 Diesel Fuel
Sulfur Standard: S @ 50000 microg/g (5.00 wt%) in 20 cSt Mineral Oil
Sulfur Standard: S @ 50000 microg/g (5.00 wt%) in 75 cSt Mineral Oil
Sulfur Standard: S @ 7 microg/g (0.0007 wt%) in 20 cSt Mineral Oil
Sulfur Standard: S @ 700 microg/g (0.0700 wt%) in 20 cSt Mineral Oil
Sulfur Standard: S @ 700 microg/g (0.0700 wt%) in 75 cSt Mineral Oil
Sulfur Standard: S @ 75 microg/g (0.0075 wt%) in #2 Diesel Fuel
Sulfur Standard: S @ 75 microg/g (0.0075 wt%) in 20 cSt Mineral Oil
Sulfur Standard: S @ 75 microg/g (0.0075 wt%) in 75 cSt Mineral Oil
Sulfur Standard: S @ 750 microg/g (0.0750 wt%) in #2 Diesel Fuel
Sulfur Standard: S @ 750 microg/g (0.0750 wt%) in 20 cSt Mineral Oil
Sulfur Standard: S @ 750 microg/g (0.0750 wt%) in 75 cSt Mineral Oil
Sulfur Standard: S @ 7500 microg/g (0.750 wt%) in #2 Diesel Fuel
Sulfur Standard: S @ 7500 microg/g (0.750 wt%) in 75 cSt Mineral Oil
"ASTM D4294, Sulfur Set B in Diesel: S @ 1000, 2500, 5000, 10000 microg/g"
"ASTM D7220, Sulfur Set A in Diesel: S @ 0, 5, 10, 25, 50 microg/g"
"ASTM D7220, Sulfur Set A in Light Oil (20 cSt): S @ 0, 5, 10, 25, 50 microg/g"
"IP 336, Sulfur Set B in Light Oil (20 cSt): S @ 0, 1000, 3000, 5000 microg/g"
ASTM D2622, Sulfur Set B in Heavy Mineral Oil: S @ 0.1, 0.25, 0.5, 1 %
ASTM D2622, Sulfur Set B in Light Mineral Oil: S @ 0.1, 0.25, 0.5, 1 %
ASTM D2622, Sulfur Set B in Odourless Kerosene: S @ 0.1, 0.25, 0.5, 1 %
ASTM D2622, Sulfur Set B in Synthetic Diesel: S @ 0.1, 0.25, 0.5, 1 %
ASTM D4294, Sulfur Set B in Heavy Mineral Oil: S @ 0.1, 0.25, 0.5, 1 %
ASTM D4294, Sulfur Set B in Light Mineral Oil: S @ 0.1, 0.25, 0.5, 1 %
ASTM D4294, Sulfur Set B in Odourless Kerosene: S @ 0.1, 0.25, 0.5, 1 %
ASTM D4294, Sulfur Set B in Synthetic Diesel: S @ 0.1, 0.25, 0.5, 1 %
IP 336, Sulfur Set A in Heavy Mineral Oil: S @ Blank, 0.03, 0.05, 0.07, 0.1 %
IP 336, Sulfur Set A in Light Mineral Oil: S @ Blank, 0.03, 0.05, 0.07, 0.1 %
IP 336, Sulfur Set A in Odourless Kerosene: S @ Blank, 0.03, 0.05, 0.07, 0.1 %
IP 336, Sulfur Set A in Synthetic Diesel: S @ Blank, 0.03, 0.05, 0.07, 0.1 %
IP 336, Sulfur Set B in Heavy Mineral Oil: S @ Blank, 0.1, 0.3, 0.5 %
IP 336, Sulfur Set B in Light Mineral Oil: S @ Blank, 0.1, 0.3, 0.5 %
IP 336, Sulfur Set B in Odourless Kerosene: S @ Blank, 0.1, 0.3, 0.5 %
IP 336, Sulfur Set B in Synthetic Diesel: S @ Blank, 0.1, 0.3, 0.5 %
IP 336, Sulfur Set F in Heavy Mineral Oil: S @ 0.5, 1, 1.5, 2, 3, 4, 5 %
IP 336, Sulfur Set F in Light Mineral Oil: S @ 0.5, 1, 1.5, 2, 3, 4, 5 %
IP 336, Sulfur Set F in Odourless Kerosene: S @ 0.5, 1, 1.5, 2, 3, 4, 5 %
IP 336, Sulfur Set F in Synthetic Diesel: S @ 0.5, 1, 1.5, 2, 3, 4, 5 %
Sulfur Set for ASTM D5453 - S @ 0, 1, 2.5, 5, 7.5, 10 ng/microL in toluene.
Sulfur Set for ASTM D5453 - S @ 0, 100, 250, 500, 750, 1000 ng/microL in Toluene
Sulfur Set for ASTM D5453: S @ 0, 1.0, 2.5, 5, 7.5, 10 ng/microL in Isooctane
Sulfur Set for ASTM D5453: S @ 0, 100, 250, 500, 750, 1000 ng/microL in Isooctane
Sulfur Set for ASTM D5453: S @ 0, 2.5, 5, 7.5, 15, 20 ng/microL in p-xylene
Sulfur Set for ASTM D5453: S @ 0, 5, 25, 50, 100, 200 ng/microL in Isooctane
Sulfur Standard: S @ 15000 microg/g (1.5000 wt%) in 20 cSt Mineral Oil
Sulfur Standard: S @ 15000 microg/g (1.5000 wt%) in 75 cSt Mineral Oil
"ASTM D2622, Sulfur Set A in Diesel: S @ 0, 5, 10, 100, 250, 500, 750, 1000 microg/g"
"ASTM D2622, Sulfur Set A in Heavy Oil (75 cSt): S @ 0, 5, 10, 100, 250, 500, 750, 1000 microg/g"
"ASTM D2622, Sulfur Set A in Light Oil (20 cSt): S @ 0, 5, 10, 100, 250, 500, 750, 1000 microg/g"
"ASTM D2622, Sulfur Set B in Heavy Oil (75 cSt): S @ 1000, 2500, 5000, 10000 microg/g"
"ASTM D2622, Sulfur Set B in Light Oil (20 cSt): S @ 1000, 2500, 5000, 10000 microg/g"
"ASTM D2622, Sulfur Set C in Diesel: S @ 10000, 20000, 30000, 40000, 50000 microg/g"
"ASTM D2622, Sulfur Set C in Heavy Oil (75 cSt): S @ 10000, 20000, 30000, 40000, 50000 microg/g"
"ASTM D2622, Sulfur Set C in Light Oil (20 cSt): S @ 10000, 20000, 30000, 40000, 50000 microg/g"
"ASTM D4294, Sulfur Set A in Diesel: S @ 0, 5, 10, 100, 250, 500, 750, 1000 microg/g"
"ASTM D4294, Sulfur Set A in Heavy Oil (75 cSt): S @ 0, 5, 10, 100, 250, 500, 750, 1000 microg/g"
"ASTM D4294, Sulfur Set A in Kerosene: S @ 0, 5, 10, 100, 250, 500, 750, 1000 microg/g"
"ASTM D4294, Sulfur Set A in Light Oil (20 cSt): S @ 0, 5, 10, 100, 250, 500, 750, 1000 microg/g"
"ASTM D4294, Sulfur Set B in Heavy Oil (75 cSt): S @ 1000, 2500, 5000, 10000 microg/g"
"ASTM D4294, Sulfur Set B in Light Oil (20 cSt): S @ 1000, 2500, 5000, 10000 microg/g"
"ASTM D4294, Sulfur Set C in Diesel: S @ 10000, 20000, 30000, 40000, 50000 microg/g"
"ASTM D4294, Sulfur Set C in Heavy Oil (75 cSt): S @ 10000, 20000, 30000, 40000, 50000 microg/g"
"ASTM D4294, Sulfur Set C in Light Oil (20 cSt): S @ 10000, 20000, 30000, 40000, 50000 microg/g"
"IP 336, Sulfur Set A in Light Oil (20 cSt): S @ 0, 300, 500, 700, 1000 microg/g"
"IP 336, Sulfur Set C in Light Oil (20 cSt): S @ 5000, 10000, 15000, 20000 microg/g"
"IP 336, Sulfur Set D in Light Oil (20 cSt): S @ 20000, 30000, 40000, 50000 microg/g"
"IP 336, Sulfur Set E in Heavy Oil (75 cSt): S @ 0, 300, 500, 700, 1000, 3000, 5000 microg/g"
"IP 336, Sulfur Set E in Light Oil (20 cSt): S @ 0, 300, 500, 700, 1000, 3000, 5000 microg/g"
"IP 336, Sulfur Set F in Heavy Oil (75 cSt): S @ 5000, 10000, 15000, 20000, 30000, 40000, 50000 microg/g"
"IP 336, Sulfur Set F in Light Oil (20 cSt): S @ 5000, 10000, 15000, 20000, 30000, 40000, 50000 microg/g"
ASTM D2622, Sulfur Set A in Heavy Mineral Oil: S @ Blank, 0.0005, 0.001, 0.01, 0.025, 0.05, 0.075, 0.1 %
ASTM D2622, Sulfur Set A in Light Mineral Oil: S @ Blank, 0.0005, 0.001, 0.01, 0.025, 0.05, 0.075, 0.1 %
ASTM D2622, Sulfur Set A in Odourless Kerosene: S @ Blank, 0.0005, 0.001, 0.01, 0.025, 0.05, 0.075, 0.1 %
ASTM D2622, Sulfur Set A in Synthetic Diesel: S @ Blank, 0.0005, 0.001, 0.01, 0.025, 0.05, 0.075, 0.1 %
ASTM D4294, Sulfur Set A in Heavy Mineral Oil: S @ Blank, 0.0005, 0.001, 0.01, 0.025, 0.05, 0.075, 0.1 %
ASTM D4294, Sulfur Set A in Light Mineral Oil: S @ Blank, 0.0005, 0.001, 0.01, 0.025, 0.05, 0.075, 0.1 %
ASTM D4294, Sulfur Set A in Odourless Kerosene: S @ Blank, 0.0005, 0.001, 0.01, 0.025, 0.05, 0.075, 0.1 %
ASTM D4294, Sulfur Set A in Synthetic Diesel: S @ Blank, 0.0005, 0.001, 0.01, 0.025, 0.05, 0.075, 0.1 %
ASTM D7039, Sulfur Set A in Heavy Mineral Oil: S @ Blank, 0.0005, 0.005, 0.025, 0.05 %
ASTM D7039, Sulfur Set A in Light Mineral Oil: S @ Blank, 0.0005, 0.005, 0.025, 0.05 %
ASTM D7039, Sulfur Set A in Odourless Kerosene: S @ Blank, 0.0005, 0.005, 0.025, 0.05 %
ASTM D7039, Sulfur Set A in Synthetic Diesel: S @ Blank, 0.0005, 0.005, 0.025, 0.05 %
ASTM D7039, Sulfur Set B in Heavy Mineral Oil: S @ Blank, 0.0025, 0.01, 0.05, 0.1, 0.3 %
ASTM D7039, Sulfur Set B in Light Mineral Oil: S @ Blank, 0.0025, 0.01, 0.05, 0.1, 0.3 %
ASTM D7039, Sulfur Set B in Odourless Kerosene: S @ Blank, 0.0025, 0.01, 0.05, 0.1, 0.3 %
ASTM D7039, Sulfur Set B in Synthetic Diesel: S @ Blank, 0.0025, 0.01, 0.05, 0.1, 0.3 %
ASTM D7220, Sulfur Set A in Heavy Mineral Oil: S @ Blank, 0.0005, 0.001, 0.0025, 0.005 %
ASTM D7220, Sulfur Set A in Light Mineral Oil: S @ Blank, 0.0005, 0.001, 0.0025, 0.005 %
ASTM D7220, Sulfur Set A in Odourless Kerosene: S @ Blank, 0.0005, 0.001, 0.0025, 0.005 %
ASTM D7220, Sulfur Set A in Synthetic Diesel: S @ Blank, 0.0005, 0.001, 0.0025, 0.005 %
ASTM D7220, Sulfur Set B in Heavy Mineral Oil: S @ 0.005, 0.01, 0.025, 0.05, 0.075, 0.1 %
ASTM D7220, Sulfur Set B in Light Mineral Oil: S @ 0.005, 0.01, 0.025, 0.05, 0.075, 0.1 %
ASTM D7220, Sulfur Set B in Odourless Kerosene: S @ 0.005, 0.01, 0.025, 0.05, 0.075, 0.1 %
ASTM D7220, Sulfur Set B in Synthetic Diesel: S @ 0.005, 0.01, 0.025, 0.05, 0.075, 0.1 %
IP 336, Sulfur Set E in Heavy Mineral Oil: S @ Blank, 0.03, 0.05, 0.07, 0.1, 0.3, 0.5 %
IP 336, Sulfur Set E in Light Mineral Oil: S @ Blank, 0.03, 0.05, 0.07, 0.1, 0.3, 0.5 %
IP 336, Sulfur Set E in Odourless Kerosene: S @ Blank, 0.03, 0.05, 0.07, 0.1, 0.3, 0.5 %
IP 336, Sulfur Set E in Synthetic Diesel: S @ Blank, 0.03, 0.05, 0.07, 0.1, 0.3, 0.5 %
IP 496, Sulfur Set A in Heavy Mineral Oil: S @ Blank, 0.01, 0.03, 0.05, 0.07, 0.1 %
IP 496, Sulfur Set A in Light Mineral Oil: S @ Blank, 0.01, 0.03, 0.05, 0.07, 0.1 %
IP 496, Sulfur Set A in Odourless Kerosene: S @ Blank, 0.01, 0.03, 0.05, 0.07, 0.1 %
IP 496, Sulfur Set A in Synthetic Diesel: S @ Blank, 0.01, 0.03, 0.05, 0.07, 0.1 %
IP 497, Sulfur Set A in Heavy Mineral Oil: S @ Blank, 0.005, 0.01, 0.025, 0.03, 0.05 %
IP 497, Sulfur Set A in Light Mineral Oil: S @ Blank, 0.005, 0.01, 0.025, 0.03, 0.05 %
IP 497, Sulfur Set A in Odourless Kerosene: S @ Blank, 0.005, 0.01, 0.025, 0.03, 0.05 %
IP 497, Sulfur Set A in Synthetic Diesel: S @ Blank, 0.005, 0.01, 0.025, 0.03, 0.05 %
Mercaptan Sulfur Set for UOP 163 and ASTM D3227: S @ 10 microg/g in 80% Isooctane/20% Toluene
Sulfur Set for ASTM D4045: S @ 0, 0.1, 0.5, 1.0, 2.5, 5.0, 10 microg/g in Isooctane
Total Sulfur by UV Fluorescence Set for ASTM D5453 - S @ 0, 1, 2.5, 5, 7.5, 10 ng/microL. Set of 6x2mL ampoules in toluene.
Microorganism:

Yes

IUPAC namesulfane
SMILESS
InchiInChI=1S/H2S/h1H2
FormulaH2S
PubChem ID402
Molweight34.08
LogP0.5
Atoms1
Bonds0
H-bond Acceptor1
H-bond Donor1
Chemical Classificationsulfur compounds thioethers sulfides
CHEBI-ID16136
Supernatural-IDSN0337276

mVOC Specific Details

Boiling Point
DegreeReference
-60.33 °C peer reviewed
Volatilization
The Henry's Law constant for hydrogen sulfide has been measured as 0.0098 atm-cu m/mole at 25 °C(1). This Henry's Law constant indicates that hydrogen sulfide is expected to volatilize rapidly 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 1.8 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 2.3 days(SRC). Hydrogen sulfide is a weak base and has two pKa values of pKa1 = 7.04 and pKa2 = 11.96(3) which indicate some dissociation at environmental pHs(4). At pH 5-6, the water-air transfer rate was found to behave like an unreactive gas, but as the pH increases to pH10, the transfer rate was enhanced and nearly 200 times faster at pH10 than pH 5(4). Hydrogen sulfide's Henry's Law constant indicates that volatilization from moist soil surfaces will occur(SRC). Hydrogen sulfide is a gas at ambient temperatures(3) and expected to volatilize from dry soil surfaces(SRC); however, hydrogen sulfide gas can adsorb to both moist and dry soil surfaces(5) which may attenuate the rate of volatilization(SRC).
Soil Adsorption
Hydrogen sulfide gas was found to absorb rapidly to six different soil types(1). For example, when hydrogen sulfide gas was passed over six air-dried and moist (50% field capacity) soils, 15.4-65.2 mg/g and 11.0-65.2 mg/g of hydrogen sulfide rapidly adsorbed to the dry and moist soils, respectively(1). Neither the capacity or rate of sorption was correlated to soil pH, organic matter content, or clay content; sterile controls ruled out the involvement of microorganisms(1); it was suggested that adsorption to soil surfaces might be an environmental sink for gaseous hydrogen sulfide(1).

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBurkholderia CepaciaNANAThorn et al. 2011
ProkaryotaBurkholderia CepaciaNANADryahina et al. 2016
ProkaryotaEnterococcus FaecalisNANAThorn et al. 2011
ProkaryotaEscherichia ColiNANAAllardyce et al. 2006
ProkaryotaEscherichia ColiNANAAllardyce et al. 2006
ProkaryotaEscherichia ColiNANAScotter et al. 2006
ProkaryotaEscherichia ColiNANAThorn et al. 2011
ProkaryotaNeisseria MeningitidisNANAScotter et al. 2006
ProkaryotaProteus MirabilisNANAThorn et al. 2011
ProkaryotaPseudomonas AeruginosaNANAAllardyce et al. 2006
ProkaryotaPseudomonas AeruginosaNANAAllardyce et al. 2006
ProkaryotaPseudomonas AeruginosaNANAThorn et al. 2011
ProkaryotaPseudomonas AeruginosaNANADryahina et al. 2016
ProkaryotaStaphylococcus AureusNANAAllardyce et al. 2006
ProkaryotaStaphylococcus AureusNANAAllardyce et al. 2006
ProkaryotaStaphylococcus AureusNANAThorn et al. 2011
ProkaryotaStaphylococcus AureusNANADryahina et al. 2016
ProkaryotaStenotrophomonas MaltophiliaNANADryahina et al. 2016
ProkaryotaStreptococcus PneumoniaeNANAAllardyce et al. 2006
ProkaryotaStreptococcus PneumoniaeNANAScotter et al. 2006
ProkaryotaMycobacterium BovisNANAMcNerney et al. 2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBurkholderia CepaciaTYESIFT-MSno
ProkaryotaBurkholderia CepaciaMHBSIFT-MSno
ProkaryotaBurkholderia CepaciaBHISIFT-MSno
ProkaryotaBurkholderia CepaciaNBSIFT-MSno
ProkaryotaEnterococcus FaecalisTYESIFT-MSno
ProkaryotaEscherichia Colihuman bloodSIFT-MSno
ProkaryotaEscherichia ColiBacT/ALERT FASIFT-MSno
ProkaryotaEscherichia ColiTYESIFT-MSno
ProkaryotaNeisseria Meningitidishuman bloodSIFT-MSno
ProkaryotaProteus MirabilisTYESIFT-MSno
ProkaryotaPseudomonas Aeruginosahuman bloodSIFT-MSno
ProkaryotaPseudomonas AeruginosaBacT/ALERT FASIFT-MSno
ProkaryotaPseudomonas AeruginosaTYESIFT-MSno
ProkaryotaPseudomonas AeruginosaBHISIFT-MSno
ProkaryotaPseudomonas AeruginosaMHBSIFT-MSno
ProkaryotaPseudomonas AeruginosaNBSIFT-MSno
ProkaryotaStaphylococcus Aureushuman bloodSIFT-MSno
ProkaryotaStaphylococcus AureusBacT/ALERT FASIFT-MSno
ProkaryotaStaphylococcus AureusTYESIFT-MSno
ProkaryotaStaphylococcus AureusMHBSIFT-MSno
ProkaryotaStaphylococcus AureusNBSIFT-MSno
ProkaryotaStaphylococcus AureusBHISIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaBHISIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaMHBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaNBSIFT-MSno
ProkaryotaStreptococcus Pneumoniaehuman bloodSIFT-MSno
ProkaryotaMycobacterium BovisLG + glycerolTD/GC-MS and SIFT-MSno


2-methoxyphenol

Mass-Spectra

Compound Details

Synonymous names
guaiacol
2-Methoxyphenol
90-05-1
o-Methoxyphenol
2-Hydroxyanisole
Guaiastil
Pyroguaiac acid
o-Guaiacol
o-Hydroxyanisole
Pyrocatechol monomethyl ether
Phenol, 2-methoxy-
1-Hydroxy-2-methoxybenzene
Anastil
Guaicol
Phenol, o-methoxy-
Methylcatechol
Guaicolina
Guajol
Guasol
O-Methyl catechol
Catechol monomethyl ether
Creodon
Guajakol
8021-39-4
2-Methoxy-Phenol
Methoxyphenol
Guajacol
Wood creosote
CREOSOTE, WOOD
FEMA No. 2532
Guaiacol (natural)
Pyrocatechol methyl ester
(mu)-methoxyphenol
Guaiacol [JAN]
NSC 3815
Methylcatachol
CCRIS 2943
9009-62-5
HSDB 4241
2-methoxyl-4-vinylphenol
UNII-6JKA7MAH9C
o--methoxyphenol
6JKA7MAH9C
2-methoxy phenol
NSC-3815
EINECS 201-964-7
MFCD00002185
Guaiacol (JAN)
Creodon (TN)
2-Methoxyphenol-3,4,5,6-d4,OD
CHEBI:28591
AI3-05615
Catechol mono methyl ether
2-methoxyphenol (guaiacol)
2-Methoxy-d3-phenol--d4
CHEMBL13766
DTXSID0023113
EC 201-964-7
Phenol, methoxy-
NCGC00090827-02
NCGC00090827-04
GUAIACOL (MART.)
GUAIACOL [MART.]
GUAIACOL (USP-RS)
GUAIACOL [USP-RS]
Guajakol [Czech]
DTXCID003113
GUAIACOL (EP MONOGRAPH)
GUAIACOL (USP IMPURITY)
GUAIACOL [EP MONOGRAPH]
GUAIACOL [USP IMPURITY]
ortho-Guaiacol
Catechol, Methyl
CAS-90-05-1
2-Hydroxy-Anisole
GUAIFENESIN IMPURITY A (EP IMPURITY)
GUAIFENESIN IMPURITY A [EP IMPURITY]
Guaiacol [JAN:NF]
SR-01000838056
Guaiacol (2-Methoxyphenol)
guiacol
Creasote
methoxy phenol
6-methoxyphenol
hydroxyl anisole
O-methylcatechol
o-Guiacol
orthomethoxyphenol
o-methoxy-Phenol
2-Methyloxyphenol
ortho-methoxyphenol
Guaiacol,(S)
JZ3
2-(methyloxy)phenol
O-HYDROXYANIOSOLE
GUAIACOL [FHFI]
GUAIACOL [HSDB]
GUAIACOL [MI]
GUAIACOL [VANDF]
O-METHOXY CATECHOL
DSSTox_CID_3113
bmse000436
bmse010027
GUAIACOL [WHO-DD]
Guaiacol, puriss., 99%
WLN: QR BO1
DSSTox_RID_77552
3-methoxy-4-hydroxy benzene
DSSTox_GSID_24853
SCHEMBL21626
ghl.PD_Mitscher_leg0.900
guaiacol (liquid) extra pure
Guaiacol, oxidation indicator
FEMA No 2532
MLS001055375
NSC3815
Guaiacol, natural, >=99%, FG
HMS2089D18
HMS2233P04
HMS3372N11
HMS3715E11
Pharmakon1600-01506165
BCP27082
CS-D1347
HY-N1380
STR03604
Tox21_111031
Tox21_201136
Tox21_202990
Tox21_400004
BDBM50240369
NSC760376
s3872
STL281868
AKOS000118831
CCG-214035
DB11359
MCULE-5627336368
NSC-760376
PB43791
PS-3252
Guaiacol, SAJ first grade, >=98.0%
NCGC00090827-01
NCGC00090827-03
NCGC00090827-05
NCGC00090827-06
NCGC00090827-07
NCGC00258688-01
NCGC00260535-01
AC-34997
Guaiacol, Vetec(TM) reagent grade, 98%
SMR000059155
SY048708
CAS-8021-39-4
DB-024854
M0121
NS00010812
EN300-19498
C01502
D00117
F70227
2-Methoxyphenol;o-Methoxyphenol;2-Hydroxyanisole
AB00876226-06
AB00876226_07
A843426
Q412403
Q-100002
SR-01000838056-2
SR-01000838056-3
F2173-0425
Guaiacol, European Pharmacopoeia (EP) Reference Standard
Z104474028
Guaiacol, United States Pharmacopeia (USP) Reference Standard
InChI=1/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H
Guaiacol, Pharmaceutical Secondary Standard; Certified Reference Material
Microorganism:

Yes

IUPAC name2-methoxyphenol
SMILESCOC1=CC=CC=C1O
InchiInChI=1S/C7H8O2/c1-9-7-5-3-2-4-6(7)8/h2-5,8H,1H3
FormulaC7H8O2
PubChem ID460
Molweight124.14
LogP1.3
Atoms9
Bonds1
H-bond Acceptor2
H-bond Donor1
Chemical Classificationalcohols aromatic compounds ethers benzenoids phenols
CHEBI-ID28591
Supernatural-IDSN0205438

mVOC Specific Details

Boiling Point
DegreeReference
203 °C peer reviewed
Volatilization
The Henry's Law constant for o-methoxyphenol is as 1.2X10-6 atm-cu m/mole(1). This Henry's Law constant indicates that o-methoxyphenol 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 34 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 251 days(SRC). o-Methoxyphenol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). o-Methoxyphenol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.103 mm Hg(3).
Literature: (1) Sagebiel JC et al; Chemosphere 25: 1763-68 (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Verschueren K; Handbook of Environmental Data of Organic Chemicals. 2nd ed. New York, NY: Van Nostrand Reinhold Co., p. 435 (1983)
Soil Adsorption
A log Koc of 1.60 for o-methoxyphenol, corresponding to a Koc of 40(SRC), was experimentally determined in a Brookston clay loam soil(1). A log Koc of 1.56(2), corresponding to a Koc of 36(SRC) has also been reported. According to a classification scheme(3), these Koc values suggest that o-methoxyphenol is expected to have very high mobility in soil. The pKa of o-methoxyphenol is 9.98(4), indicating that this compound will exist primarily in the undissociated form in the environment(SRC). The adsorption of the phenol occurrs by hydrogen bonding to sites on soil surfaces; ortho-substitution generally results in decreased adsorption compared to para-substitution due to steric hindrance(1).
Literature: (1) Boyd SA; Soil Sci 134: 337-43 (1982) (2) Schuurmann G et al; Environ Sci Technol 40: 7005-11 (2006). Supporting information. Predicition of the sorption of organic compounds into soil organic matter from molecular structure. Available from, as of Dec 22, 2009: http//pub.acs.org (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Pearce PJ, Simkins RJJ; Can J Chem 46: 241-8 (1968)
Vapor Pressure
PressureReference
0.103 mm Hg 25 deg CVerschueren, K. Handbook of Environmental Data of Organic Chemicals. 2nd ed. New York, NY: Van Nostrand Reinhold Co., 1983., p. 435
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus VelezensisNARiu et al. 2022
ProkaryotaEscherichia ColiSwedish Institute for Communicable Disease Control (SMI), Stockholm, SwedenSousa et al. 2023
EukaryotaTuber Aestivumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al. 2010
EukaryotaTuber Melanosporumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al. 2010
ProkaryotaPseudomonas Simiaenarhizosphere of a soybean field in the province of Rajasthan, IndiaVaishnav et al. 2016
ProkaryotaLentilactobacillus BuchneriNANASquara et al. 2022
ProkaryotaLacticaseibacillus ParacaseiNANASquara et al. 2022
ProkaryotaBacillus AtrophaeusNANAToral et al. 2021
ProkaryotaBacillus SubtilisNANALee et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus Velezensissterile soilSPME/GC-MSno
ProkaryotaEscherichia Colirocket lysateHS-SPME/GC-MSno
EukaryotaTuber Aestivumn/aGas chromatography-olfactometry (GC-O)no
EukaryotaTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)no
ProkaryotaPseudomonas SimiaeNutrient broth; King's B agarGC/MSno
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaBacillus AtrophaeusMOLPHS-SPME-GC/MSno
ProkaryotaBacillus SubtilisTryptone soy broth (TSB)HPLCno


3-methylsulfanylpropanoic Acid

Mass-Spectra

Compound Details

Synonymous names
3-(Methylthio)propionic acid
646-01-5
3-methylthiopropionate
3-methylthiopropionic acid
3-(Methylthio)propanoic acid
4-Thiapentanoic acid
Propanoic acid, 3-(methylthio)-
3-methylsulfanylpropanoic acid
3-(Methylsulfanyl)propanoic acid
Propanoic acid 3-(methylthio)-
Propionic acid, 3-(methylthio)-
3-Methythiopropionic acid
3-methylthiopropanoic acid
3-methyl-thiopropionic acid
3-(Methythio)propionic acid
C4H8O2S
CHEBI:1438
F523ALI47D
3-Methylsulfanyl-Propionic Acid
3-(Methylmercapto)propionic Acid
3-(methyl-sulfanyl)-propanoic acid
3-(methylsulfanyl)propanoate
MFCD00059635
3-(methylthio)propanoate
UNII-F523ALI47D
3-methylsulfanylpropionic acid
4-Thiapentanoate
EINECS 211-460-9
3-METHYLTHIOPROPIONA
3(methylthio)propanoic acid
3-(Methylthio)propionicacid
SCHEMBL342851
CHEMBL116212
DTXSID70862354
3-(Methylsulfanyl)propanoic acid #
LMFA01130006
s6341
AKOS000202219
CS-6296
3-(METHYLMERCAPTO)PROPANOIC ACID
AS-10364
DA-69853
PD063944
HY-101401
M0811
NS00007379
EN300-16207
C08276
D87669
Q27105456
Z54719251
A8C
Microorganism:

Yes

IUPAC name3-methylsulfanylpropanoic acid
SMILESCSCCC(=O)O
InchiInChI=1S/C4H8O2S/c1-7-3-2-4(5)6/h2-3H2,1H3,(H,5,6)
FormulaC4H8O2S
PubChem ID563
Molweight120.17
LogP0.4
Atoms7
Bonds3
H-bond Acceptor3
H-bond Donor1
Chemical Classificationacids carboxylic acids sulfides thioethers sulfur compounds
CHEBI-ID1438
Supernatural-IDSN0040531

Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStaphylococcus Xylosusn/an/ano
ProkaryotaOenococcus Oenin/an/ano
ProkaryotaLactobacillus Brevisn/an/ano
ProkaryotaLactobacillus Hilgardiin/an/ano
ProkaryotaLactobacillus Plantarumn/an/ano


Dibenzofuran

Compound Details

Synonymous names
dibenzofuran
Dibenzo[b,d]furan
132-64-9
diphenylene oxide
Dibenzofurans
2,2'-Biphenylene oxide
2,2'-Biphenylylene oxide
Dibenzo(b,d)furan
dibenzofurane
(1,1'-Biphenyl)-2,2'-diyl oxide
[1,1'-Biphenyl]-2,2'-diyl oxide
DTXSID2021993
CHEBI:28145
8U54U639VI
NSC-1245
Dibenzol(b,d)furan
DTXCID801993
CAS-132-64-9
CCRIS 1436
HSDB 2163
NSC 1245
EINECS 205-071-3
UNII-8U54U639VI
AI3-00039
dibenzo[bd]furan
Dibenzofuran, 98%
[1,2'-diyl oxide
DIBENZOFURAN [MI]
bmse000548
DIBENZOFURAN [HSDB]
SCHEMBL8207
CHEMBL277497
Dibenzofuran, analytical standard
NSC1245
DIBENZO (b,d) FURAN (purity)
Tox21_202116
Tox21_300052
BDBM50408362
MFCD00004968
STL185574
AKOS000120971
CS-W017802
HY-W017086
MCULE-9430669072
PS-5378
NCGC00164102-01
NCGC00164102-02
NCGC00164102-03
NCGC00254221-01
NCGC00259665-01
AC-19766
Dibenzofuran D8 10 mug/mL in Cyclohexane
DB-042123
D0147
NS00010742
EN300-18022
C07729
Q419513
Q-101160
Z57127512
Dibenzo[b,d]furan, BCR(R) certified Reference Material
8-oxatricyclo[7.4.0.0,2,7]trideca-1(9),2(7),3,5,10,12-hexaene
8-oxatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,5,10,12-hexaene
InChI=1/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8
1IT
Microorganism:

Yes

IUPAC namedibenzofuran
SMILESC1=CC=C2C(=C1)C3=CC=CC=C3O2
InchiInChI=1S/C12H8O/c1-3-7-11-9(5-1)10-6-2-4-8-12(10)13-11/h1-8H
FormulaC12H8O
PubChem ID568
Molweight168.19
LogP4.1
Atoms13
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids heterocyclic compounds benzofuran derivatives aromatic compounds ethers
CHEBI-ID28145
Supernatural-IDSN0362403

mVOC Specific Details

Boiling Point
DegreeReference
287 °C peer reviewed
Volatilization
The Henry's Law constant for dibenzofuran is estimated as 2.1X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 0.00248 mm Hg(1), and water solubility, 3.1 mg/l(2). This Henry's Law constant indicates that dibenzofuran is expected to volatilize from water surfaces(3). 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)(3) is estimated as 5 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)(3) is estimated as 7 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column(SRC). The estimated volatilization half-life from a model pond is 82 days if adsorption is considered(4). Dibenzofuran's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). However, volatilization from moist soil surfaces is expected to be attenuated by adsorption to soil(SRC). Dibenzofuran is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Soil Adsorption
The Koc of dibenzofuran is estimated as 4,200(SRC), using a log Kow of 4.12(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that dibenzofuran is expected to have slight mobility in soil(SRC). Monitoring of dibenzofuran in contaminated groundwater beneath an abandoned creosote facility in Conroe, TX has suggested that leaching of dibenzofuran may be much more important than predicted from estimation methods, although soil from this location had a very low organic content and other co-contaminants present(4). Sorption of creosote compounds (including dibenzofuran) were measured on natural clayey till soil column(5); a Kd of 4.31 l/kg was measured for dibenzofuran (in the presence of other creosote compounds)(5).
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaEscherichia ColiNANADixon et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaEscherichia ColiLBTD/GC-MSno


Methylsulfanylmethane

Mass-Spectra

Compound Details

Synonymous names
dimethyl sulfide
Methyl sulfide
75-18-3
Methane, thiobis-
dimethyl sulphide
dimethylsulfide
Methyl thioether
Dimethylsulphide
2-Thiapropane
Dimethyl thioether
Methyl sulphide
METHYLSULFANYLMETHANE
Methylthiomethane
Dimethylsulfid
(Methylsulfanyl)methane
Methyl monosulfide
Dimethyl monosulfide
Thiobismethane
2-Thiopropane
Methanethiomethane
Thiobis(methane)
Exact-S
Sulfure de methyle
Dimethyl sulfide (natural)
dimethylsulfane
FEMA No. 2746
Methylthiomethyl radical
MFCD00008562
Methane, 1,1'-thiobis-
[SMe2]
QS3J7O7L3U
CHEBI:17437
(CH3)2S
31533-72-9
methylsulfide
Dimethylsulfid [Czech]
Sulfure de methyle [French]
HSDB 356
EINECS 200-846-2
UN1164
UNII-QS3J7O7L3U
BRN 1696847
Methylsulphide
Thiopropane
Thiobis-methane
di-methylsulfide
AI3-25274
Dimethyl sulfane
Sulfide, methyl-
(methylthio)methane
Me2S
REDUCED-DMSO
SMe2
Dimethyl sulfide, 98%
reduced dimethyl sulfoxide
(Methylsulfanyl)methane #
Dimethyl sulfide [UN1164] [Flammable liquid]
Dimethyl sulfoxide(Reduced)
EC 200-846-2
(Me)2S
Dimethyl sulfide, >=99%
4-01-00-01275 (Beilstein Handbook Reference)
CHEMBL15580
DIMETHYL SULFIDE [MI]
METHYL SULFIDE [FHFI]
DIMETHYL SULFIDE [FCC]
DIMETHYL SULFIDE [HSDB]
DTXSID9026398
S(CH3)2
Dimethyl sulfide, >=99%, FCC
Dimethyl sulfide, analytical standard
STL481894
Dimethyl sulfide, >=95.0% (GC)
AKOS009031411
MCULE-4525381422
UN 1164
Dimethyl sulfide, anhydrous, >=99.0%
InChI=1/C2H6S/c1-3-2/h1-2H
M0431
NS00005000
NS00124710
Dimethyl sulfide, puriss., >=99.0% (GC)
C00580
Dimethyl sulfide, natural, >=99%, FCC, FG
Dimethyl sulfide [UN1164] [Flammable liquid]
A838342
Dimethyl sulfide, redistilled, >=99%, FCC, FG
Q423133
Q-100810
Microorganism:

Yes

IUPAC namemethylsulfanylmethane
SMILESCSC
InchiInChI=1S/C2H6S/c1-3-2/h1-2H3
FormulaC2H6S
PubChem ID1068
Molweight62.14
LogP0.9
Atoms3
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationsulfides thioethers sulfur compounds
CHEBI-ID17437
Supernatural-IDSN0309416

mVOC Specific Details

Boiling Point
DegreeReference
37.3 °C peer reviewed
Volatilization
The Henry's Law constant for dimethyl sulfide has been measured as 1.61X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that dimethyl sulfide is expected to volatilize rapidly 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 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 3 days(SRC). Dimethyl sulfides's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of dimethyl sulfide from dry soil surfaces may exist(SRC) based upon a vapor pressure of 502 mm Hg(3).
Literature: (1) Gaffney, JS et al; Env Sci Tech 21: 519-23 (1987) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Vol 4. Design Inst Phys Prop Data, Amer Inst Chem Eng, NY, NY: Hemisphere Pub Corp (1989)
Soil Adsorption
The Koc of dimethyl sulfide is estimated as 6.3(SRC), using a water solubility of 22,000 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that dimethyl sulfide is expected to have very high mobility in soil.
Literature: (1) Suzuki T; J Comp-Aided Molec Des 5: 149-66 (1991) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.0. Jan, 2009. Available from http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm as of Oct 1, 2009. (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Literature: #Air-dried, unsterilized moist, and sterilized moist soils exposed to air initially containing 500 ppm dimethyl sulfide adsorbed an avg of 32, 308, and 10 ug dimethyl sulfide/g soil, respectively, in 15 days(1). Time required for complete sorption of dimethyl sulfide by moist soil from air initially containing 100 ppm dimethyl sulfide: soil 1 (Weller) - 1st exposure 150 min, 2nd exposure 100 min, 3rd exposure 95 min; soil 2 (Harps) - 1st exposure 45 min, 2nd exposure 24 min, 3rd exposure 19 min(1). These data suggest that moist soils have a greater tendency to adsorb dimethyl sulfide than dry soils, and that microbial activity in moist soils may be responsible for greater adsorption(1). When natural gas containing 0.5 pounds of dimethyl sulfide per million cubic feet of gas was passed through a bed of pulverized, dry, montmorillonite clay, dimethyl sulfide exhibited a fast breakthrough (2 hours) and a fast build-up rate in effluent gas (85% of influent concn 4 hours after breakthrough), suggesting that dimethyl sulfide does not adsorb to dry soils(2).
Literature: (1) Bremner JM, Banwart WL; Soil Biol Biochem 8: 79-83 (1976) (2) Williams RP; Oper Sect Proc - Am Gas Assoc pp. T29-T37 (1976)
Vapor Pressure
PressureReference
502 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAspergillus FumigatusNANAChippendale et al. 2014
ProkaryotaBurkholderia CepaciaNANADryahina et al. 2016
ProkaryotaEscherichia ColiNANAAllardyce et al. 2006
ProkaryotaEscherichia ColiNANAAllardyce et al. 2006
ProkaryotaNeisseria MeningitidisNANAAllardyce et al. 2006
ProkaryotaPseudomonas AeruginosaNANAAllardyce et al. 2006
ProkaryotaPseudomonas AeruginosaNANAAllardyce et al. 2006
ProkaryotaPseudomonas AeruginosaNANADryahina et al. 2016
ProkaryotaStaphylococcus AureusNANAAllardyce et al. 2006
ProkaryotaStaphylococcus AureusNANADryahina et al. 2016
ProkaryotaStenotrophomonas MaltophiliaNANADryahina et al. 2016
ProkaryotaStreptococcus PneumoniaeNANAAllardyce et al. 2006
ProkaryotaStreptococcus PneumoniaeNANAAllardyce et al. 2006
ProkaryotaEscherichia ColiNANAHewett et al. 2020
ProkaryotaPseudomonas AeruginosaNANABean et al. 2016
ProkaryotaKlebsiella PneumoniaeNANARees et al. 2016a
ProkaryotaPseudomonas AeruginosaNANABean et al. 2012
ProkaryotaPseudomonas AeruginosaNANADavis et al. 2020
ProkaryotaEscherichia ColiNANADixon et al. 2022
ProkaryotaHaemophilus InfluenzaeNANAFilipiak et al. 2012
ProkaryotaPseudomonas AeruginosaNANAFilipiak et al. 2012
ProkaryotaPseudomonas AeruginosaNANAAhmed et al. 2023
ProkaryotaStreptococcus PneumoniaeNANAFilipiak et al. 2012
ProkaryotaMycobacterium BovisNANAMcNerney et al. 2012
ProkaryotaEnterobacter CloacaeNALawal et al. 2018
EukaryotaAspergillus Versicolorwild strainsSchleibinger et al. 2005
EukaryotaChaetomium Globosumwild strainsSchleibinger et al. 2005
EukaryotaEurotium Amstelodamiwild strainsSchleibinger et al. 2005
ProkaryotaShigella SonneiChina Center of Industrial Culture collectionWang et al. 2018
ProkaryotaVibrio ParahaemolyticusChina Center of Industrial Culture collectionWang et al. 2018
EukaryotaFusarium OxysporumonionWang et al. 2018
EukaryotaFusarium ProliferatumonionWang et al. 2018
ProkaryotaPseudomonas Fluorescens0Medicago spp. plant rhizospheresHernández-León et al. 2015
ProkaryotaPseudomonas Sp.antifungal activity against Thielaviopsis ethacetica mycelial growthBrazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; BrazilFreitas et al. 2022
ProkaryotaPseudomonas AeruginosaNational Collections of Industrial Food and Marine Bacteria, American Type Culture CollectionSlade et al. 2022
EukaryotaTuber Magnatumcollected from natural truffle orchards in Istria (Croatia) during one truffle season (October 2018–January 2019)Niimi et al. 2021
EukaryotaTuber Magnatumcollected from natural truffle orchards in Baranya (Hungary) during one truffle season (October 2018–January 2019)Niimi et al. 2021
EukaryotaTuber Magnatumcollected from natural truffle orchards in Somogy (Hungary) during one truffle season (October 2018–January 2019)Niimi et al. 2021
EukaryotaTuber Magnatumcollected from natural truffle orchards in Abruzzo (Italy) during one truffle season (October 2018–January 2019)Niimi et al. 2021
EukaryotaTuber Magnatumcollected from natural truffle orchards in Kalubara (Serbia) during one truffle season (October 2018–January 2019)Niimi et al. 2021
EukaryotaTuber Magnatumcollected from natural truffle orchards in Srem (Serbia) during one truffle season (October 2018–January 2019)Niimi et al. 2021
EukaryotaSerendipita IndicaInstitute of Phytopathology, Justus-Liebig-Universität, Gießen, Germany; origin: isolates from sudangrass roots growing in soil-based trap systemsVenneman et al. 2020
EukaryotaSerendipita WilliamsiiInstitute of Phytopathology, Justus-Liebig-Universität, Gießen, Germany; origin: isolates from sudangrass roots growing in soil-based trap systemsVenneman et al. 2020
ProkaryotaAlpha Proteobacterian/aNASchulz and Dickschat 2007
ProkaryotaGamma Proteobacterian/aNASchulz and Dickschat 2007
ProkaryotaAlcaligenes Faecalisn/aNASchulz and Dickschat 2007
ProkaryotaDesulfovibrio Acrylicusn/aNASchulz and Dickschat 2007
ProkaryotaParasporobacterium Paucivoransn/aNASchulz and Dickschat 2007
ProkaryotaLactococcus Sp.n/aNASchulz and Dickschat 2007
ProkaryotaLactobacillus Sp.n/aNASchulz and Dickschat 2007
ProkaryotaClostridium Sp.n/aNAStotzky and Schenck 1976
ProkaryotaCollimonas Fungivoransn/aNAGarbeva et al. 2014
EukaryotaTuber Magnatumn/aItalian geographical areas ( Umbria, Piedmont, Marche, Emilia Romagna, Border region area between Emilia Romagna and Marche, Tuscany, Molise)Gioacchini et al. 2008
EukaryotaTuber Simonean/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Rufumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Mesentericumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Melanosporumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Aestivumn/aAyme Truffe of Grignan, 26230 FranceMarch et al. 2006
EukaryotaTuber Uncinatumn/aFrance, Italy, Switzerland, the UK, Austria, Romania, and HungarySplivallo et al. 2012
ProkaryotaCollimonas Pratensisn/aNAGarbeva et al. 2014
ProkaryotaPseudomonas FluorescensNACheng et al. 2016
EukaryotaFusarium Sp.NABrock et al. 2011
EukaryotaPenicillium Sp.NALarsen 1998
ProkaryotaPseudonocardia ThermophilanasoilWilkins 1996
ProkaryotaSaccharomonospora RectivirgulanasoilWilkins 1996
ProkaryotaStreptomyces Sp.nabreathing zone of a waste collection workerWilkins 1996
ProkaryotaPseudomonas Aeruginosastimulates growth of Aspergillus fumigatusnaBriard et al. 2016
ProkaryotaSerratia Plymuthicanamaize rhizosphere, NetherlandsGarbeva et al. 2014
ProkaryotaPaenibacillus Sp.narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al. 2014
ProkaryotaPedobacter Sp.narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al. 2014
ProkaryotaRalstonia SolanacearumnanaSpraker et al. 2014
EukaryotaPenicillium Communenain dry-cured meat products, cheeseSunesson et al. 1995
ProkaryotaSerratia Sp.the results led us to propose a possible new direct long-distance mechanism of action for WT antagonistic F. oxysporum that is mediated by vocsNAMinerdi et al. 2009
EukaryotaTuber Aestivumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al. 2010
EukaryotaTuber Melanosporumn/aT. melanosporum was from the cultivated truffle zones in the province and T. aestivum from the natural truffle zones in the same regionCullere et al. 2010
ProkaryotaPseudomonas PutidananaSchöller et al. 1997
EukaryotaTuber Mesentericumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Excavatumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Magnatumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Aestivumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Brumalen/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al. 2004
EukaryotaTuber Melanosporumn/aProf. Mattia Bentivenga (Università di Perugia, Perugia, Italy) and in the fortywoodland of the Basilicata regionMauriello et al. 2004
ProkaryotaPseudomonas AeruginosaclinicPreti et al. 2009
ProkaryotaEnterobacter AgglomeransNARobacker and Lauzon 2002
ProkaryotaClostridium Difficilenastool specimens, from patients infected with clostridium difficileKuppusami et al. 2015
ProkaryotaClostridium DifficilenanaKuppusami et al. 2015
EukaryotaTuber MesentericumNoneNoneMarch et al. 2006
ProkaryotaSerratia Sp.NANAAlmeida et al. 2022
ProkaryotaEnterobacter Sp.NANAAlmeida et al. 2022
ProkaryotaEscherichia ColiNANAAlmeida et al. 2022
ProkaryotaPseudomonas SegetisNANAToral et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAspergillus FumigatusBHIGC-MSno
ProkaryotaBurkholderia CepaciaMHBSIFT-MSno
ProkaryotaBurkholderia CepaciaNBSIFT-MSno
ProkaryotaBurkholderia CepaciaBHISIFT-MSno
ProkaryotaEscherichia Colihuman bloodSIFT-MSno
ProkaryotaEscherichia ColiBacT/ALERT FASIFT-MSno
ProkaryotaNeisseria Meningitidishuman bloodSIFT-MSno
ProkaryotaPseudomonas Aeruginosahuman bloodSIFT-MSno
ProkaryotaPseudomonas AeruginosaBacT/ALERT FASIFT-MSno
ProkaryotaPseudomonas AeruginosaNBSIFT-MSno
ProkaryotaPseudomonas AeruginosaBHISIFT-MSno
ProkaryotaPseudomonas AeruginosaMHBSIFT-MSno
ProkaryotaStaphylococcus Aureushuman bloodSIFT-MSno
ProkaryotaStaphylococcus AureusMHBSIFT-MSno
ProkaryotaStaphylococcus AureusNBSIFT-MSno
ProkaryotaStaphylococcus AureusBHISIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaNBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaMHBSIFT-MSno
ProkaryotaStenotrophomonas MaltophiliaBHISIFT-MSno
ProkaryotaStreptococcus Pneumoniaehuman bloodSIFT-MSno
ProkaryotaStreptococcus PneumoniaeBacT/ALERT FASIFT-MSno
ProkaryotaEscherichia ColiLBSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaLB-LennoxSPME/GC-MSno
ProkaryotaKlebsiella Pneumoniaehuman bloodSPME/GCxGC-MSno
ProkaryotaPseudomonas Aeruginosalysogeny brothSPME/GCxGC-MSno
ProkaryotaPseudomonas AeruginosaLB brothSPME/GCxGC-MSno
ProkaryotaEscherichia ColiLBTD/GC-MSno
ProkaryotaHaemophilus InfluenzaeTryptic soya supp. factors X&VTD/GC-MSno
ProkaryotaPseudomonas Aeruginosatryptic soy brothTD/GC-MSno
ProkaryotaPseudomonas AeruginosaNBTD/GC-MSno
ProkaryotaStreptococcus PneumoniaeTryptic soyaTD/GC-MSno
ProkaryotaMycobacterium BovisLG + glycerolTD/GC-MS and SIFT-MSno
ProkaryotaEnterobacter CloacaeLevine EMB agar (LEA) (Fluka Analytical, UK)GC-MSno
EukaryotaAspergillus Versicoloringrain (woodchip)SIM/GCMS / Tenaxno
EukaryotaChaetomium Globosumingrain (woodchip)SIM/GCMS / Tenaxno
EukaryotaEurotium Amstelodamiingrain (woodchip)SIM/GCMS / Tenaxno
ProkaryotaShigella SonneiSodium chloride brothSPME, GC-MSno
ProkaryotaVibrio ParahaemolyticusSodium chloride brothSPME, GC-MSno
EukaryotaFusarium OxysporumLiquid onion extract medium (LOM)SPME, GC-MSyes
EukaryotaFusarium ProliferatumLiquid onion extract medium (LOM)SPME, GC-MSyes
ProkaryotaPseudomonas FluorescensNutrient AgarSPME-GC-MSno
ProkaryotaPseudomonas Sp.LB media, DYGS media, ANGLE mediaHS-SPME/GC-MSno
ProkaryotaPseudomonas AeruginosaTS agar/blood agarHS-SPME/GC-MSno
EukaryotaTuber MagnatumGC-MS-Ono
EukaryotaSerendipita IndicaPD agarPTR-TOF-MSno
EukaryotaSerendipita WilliamsiiPD agarPTR-TOF-MSno
ProkaryotaAlpha Proteobacterian/an/ano
ProkaryotaGamma Proteobacterian/an/ano
ProkaryotaAlcaligenes Faecalisn/an/ano
ProkaryotaDesulfovibrio Acrylicusn/an/ano
ProkaryotaParasporobacterium Paucivoransn/an/ano
ProkaryotaLactococcus Sp.n/an/ano
ProkaryotaLactobacillus Sp.n/an/ano
ProkaryotaClostridium Sp.n/an/ano
ProkaryotaCollimonas Fungivoranssand supplemented with artificial root exudatesHeadspace trapping/GC-MSno
EukaryotaTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Simonean/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Rufumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Mesentericumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Melanosporumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Aestivumn/aPressure balanced head-space sampling and GC/TOF-MSno
EukaryotaTuber Uncinatumn/aSPME-GC-MSno
ProkaryotaCollimonas Pratensissand supplemented with artificial root exudatesHeadspace trapping/GC-MSno
ProkaryotaPseudomonas FluorescensKings B + rif,+kann; PDA GC-Q-TOF-MSno
EukaryotaFusarium Sp.no
EukaryotaPenicillium Sp.no
ProkaryotaPseudonocardia ThermophilaNutrient agar CM3GC/MSno
ProkaryotaSaccharomonospora RectivirgulaNutrient agar CM3GC/MSno
ProkaryotaStreptomyces Sp.Nutrient agar CM3 + 50mg/l actidioneGC/MSno
ProkaryotaPseudomonas Aeruginosaminimal medium/ Brian mediumSPME-GC/MSno
ProkaryotaSerratia Plymuthicasand containing artificial root exudatesGC/MSno
ProkaryotaPaenibacillus Sp.sand containing artificial root exudatesGC/MSno
ProkaryotaPedobacter Sp.sand containing artificial root exudatesGC/MSno
ProkaryotaRalstonia SolanacearumCasamino Acid Peptone Glucose agarSPME-GC/MSno
EukaryotaPenicillium CommuneMEAGC/MSno
ProkaryotaSerratia Sp.LB mediumSPME/GC-MS no
EukaryotaTuber Aestivumn/aGas chromatography-olfactometry (GC-O)no
EukaryotaTuber Melanosporumn/aGas chromatography-olfactometry (GC-O)no
ProkaryotaPseudomonas PutidaAB medium + 1% citrate or 0,02% citrate or 1% glucose +1% casaminoacid GC-FID,GC/MSno
EukaryotaTuber Mesentericumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Excavatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Aestivumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Brumalen/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
EukaryotaTuber Melanosporumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no
ProkaryotaPseudomonas AeruginosaBlood agar/chocolate blood agaHS-SPME/GC-MS no
ProkaryotaEnterobacter Agglomeransno
ProkaryotaClostridium Difficilebrain heart infusion agar with 7% horse bloodPTR-ToF-MSno
EukaryotaTuber MesentericumNonePressure balanced head-space sampling and GC/TOF-MSno
ProkaryotaSerratia Sp.LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)no
ProkaryotaEnterobacter Sp.LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)no
ProkaryotaEscherichia ColiLB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol)SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation)no
ProkaryotaPseudomonas SegetisMOLPHS-SPME-GC/MSno
ProkaryotaPseudomonas SegetisSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaPseudomonas Segetistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno


4-hydroxy-3-methoxybenzaldehyde

Mass-Spectra

Compound Details

Synonymous names
vanillin
4-Hydroxy-3-methoxybenzaldehyde
121-33-5
Vanillaldehyde
Vanillic aldehyde
p-Vanillin
Lioxin
Vanilline
Vanilla
3-Methoxy-4-hydroxybenzaldehyde
4-Hydroxy-m-anisaldehyde
2-Methoxy-4-formylphenol
Zimco
Benzaldehyde, 4-hydroxy-3-methoxy-
p-Hydroxy-m-methoxybenzaldehyde
4-Hydroxy-3-methoxy-benzaldehyde
Methylprotocatechuic aldehyde
4-Formyl-2-methoxyphenol
Vanilin
Vanillin (natural)
4-Hydroxy-5-methoxybenzaldehyde
m-Anisaldehyde, 4-hydroxy-
Protocatechualdehyde, methyl-
FEMA No. 3107
vaniline
Rhovanil
Protocatechualdehyde 3-methyl ether
Vanillin (NF)
NSC 15351
m-Methoxy-p-hydroxybenzaldehyde
CCRIS 2687
Vanillin Melting Point Standard
HSDB 1027
Vanillin, natural
EINECS 204-465-2
NSC-15351
NSC-48383
Vanillin [NF]
NSC-403658
UNII-CHI530446X
BRN 0472792
Vanillin (Standard)
CHEBI:18346
4-hydroxy-3-methoxy-benzyldehyde
AI3-00093
NPLC-0145
CHI530446X
MFCD00006942
CHEMBL13883
DTXSID0021969
VANILLIN (METHOXY-13C)
EC 204-465-2
H-0264
4-08-00-01763 (Beilstein Handbook Reference)
NSC15351
4-HYDROXY,3-METHOXY-BENZALDEHYDE
NCGC00091645-03
4-hydroxy-3-methoxybenzaldehyde (vanillin)
VANILLIN (II)
VANILLIN [II]
VANILLIN (MART.)
VANILLIN [MART.]
WLN: VHR DQ CO1
Vanillin [USAN]
DTXCID301969
VANILLIN (EP MONOGRAPH)
VANILLIN [EP MONOGRAPH]
Vanillinum
Oleoresin vanilla
Vanilla oleoresin
CAS-121-33-5
3-methoxy-4-hydroxy-benzaldehyde
oleo-Resins vanilla
V55
Vanillin sodium salt
VANILLIN [FHFI]
VANILLIN [HSDB]
VANILLIN [INCI]
FEMA Number 3107
oleo-Resins vanilla-bean
VANILLIN [FCC]
4-Hydroxy-3-methoxybenzaldehyde(Vanilline)
VANILLIN [MI]
VANILLIN [VANDF]
methyl-Protocatechualdehyde
bmse000343
bmse000597
bmse010006
Methylprotcatechuic aldehyde
VANILLIN [USP-RS]
VANILLIN [WHO-DD]
SCHEMBL1213
MLS002303069
BIDD:ER0330
Vanillin, puriss., 99.5%
GTPL6412
SGCUT00016
4-hydroxy 3-methoxybenzaldehyde
METHYLPROTOCATECHUALDEHYDE
FEMA 3107
HY-N0098R
Vanilla oleoresin (vanilla SPP)
3-methoxy-4-hydroxy benzaldehyde
4-hydroxy-3-methoxy benzaldehyde
VANILLIN, NATURAL [FHFI]
3-methoxy-4-hydroxy benzoaldehyde
Vanillin, ReagentPlus(R), 99%
4-hydroxy-3-(methoxy)benzaldehyde
HMS3651D20
HMS3885K07
Vanillin, >=97%, FCC, FG
4-hydoxy-3-(methyloxy)benzaldehyde
BCP29943
HY-N0098
NSC48383
STR01001
to_000089
Tox21_113534
Tox21_201925
Tox21_300352
4-hydoxy-3-(methyloxy)benz aldehyde
BBL011956
BDBM50177405
MFCD08702848
NSC403658
s3071
STK199262
AKOS000118929
Tox21_113534_1
CCG-266230
CS-W020052
MCULE-1294709490
Vanillin, tested according to Ph.Eur.
NCGC00091645-01
NCGC00091645-02
NCGC00091645-04
NCGC00091645-05
NCGC00091645-07
NCGC00254468-01
NCGC00259474-01
Vanillin, natural, >=97%, FCC, FG
AC-10370
BP-10602
NCI60_001085
SMR000156285
SY224451
Vanillin 1000 microg/mL in Acetonitrile
Vanillin, JIS special grade, >=98.0%
Vanillin, Vetec(TM) reagent grade, 98%
3-Methoxy-4-hydroxybenzaldehyde (vanillin)
DB-003805
AM20060497
CS-0694801
H0264
NS00009754
SW219190-1
V0080
EN300-18281
vanillin (3-methoxy-4-hydroxy- benzaldehyde)
A19444
C00755
D00091
Q33495
4-Hydroxy-3-methoxybenzaldehyde inclusion complex
Vanillin (83 degrees C) Melting Point Standard
4-hydroxy-3-methoxy-Benzaldehyde-5-chlorovanillin
4-hydroxy-3-methoxybenzaldehyde (ACD/Name 4.0)
AC-907/21098004
Q-100102
Vanillin, TraceCERT(R), certified reference material
Z57772449
F2190-0587
Vanillin, European Pharmacopoeia (EP) Reference Standard
1-(AMINOMETHYL)-CYCLOPROPANECARBOXYLICACIDETHYLESTER
Mettler-Toledo Calibration substance ME 51143093, Vanillin
Vanillin, United States Pharmacopeia (USP) Reference Standard
NSC 15351;NSC-15351; NSC15351 pound>>4-Hydroxy-3-methoxybenzaldehyde
Vanillin, Pharmaceutical Secondary Standard; Certified Reference Material
InChI=1/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H
Vanillin Melting Point Standard, United States Pharmacopeia (USP) Reference Standard
Mettler-Toledo Calibration substance ME 51143093, Vanillin, traceable to primary standards (LGC)
Vanillin melting point standard, Pharmaceutical Secondary Standard; Certified Reference Material
Microorganism:

No

IUPAC name4-hydroxy-3-methoxybenzaldehyde
SMILESCOC1=C(C=CC(=C1)C=O)O
InchiInChI=1S/C8H8O3/c1-11-8-4-6(5-9)2-3-7(8)10/h2-5,10H,1H3
FormulaC8H8O3
PubChem ID1183
Molweight152.15
LogP1.2
Atoms11
Bonds2
H-bond Acceptor3
H-bond Donor1
Chemical Classificationbenzenoids phenols ethers aldehydes aromatic compounds
CHEBI-ID18346
Supernatural-IDSN0237324

mVOC Specific Details

Boiling Point
DegreeReference
285 °C peer reviewed
Volatilization
The Henry's Law constant for vanillin for the neutral species is estimated as 2.1X10-9 atm-cu m/mole(SRC) derived from its vapor pressure, 1.18X10-4 mm Hg(1), and water solubility, 1.102X10+4 mg/L(2). This Henry's Law constant indicates that vanillin is expected to be essentially nonvolatile from water surfaces(3). Vanillin is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Yaws CL; Handbook of Vapor Pressure. Vol 3: C8-C28 Compounds. Houston, TX: Gulf Pub Co (1994) (2) Yalkowsky SH et al; Handbook of Aqueous Solubility Data. 2nd ed. Boca Raton, FL: CRC Press p. 480 (2010) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of vanillin can be estimated to be 10(SRC). According to a classification scheme(2), this estimated Koc value suggests that vanillin is expected to have very high mobility in soil. The pKa of vanillin is 7.4(3), indicating that this compound will partially exist in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(4).
Literature: (1) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of June 16, 2015: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (2) Swann RL et al; Res Rev 85: 17-28 (1983) (3) Serjeant EP, Dempsey B; Ionisation constants of organic acids in aqueous solution. IUPAC Chem Data Ser No.23. New York, NY: Pergamon pp. 989 (1979) (4) Doucette WJ; pp. 141-188 in Handbook of Property Estimation Methods for Chemicals. Boethling RS, Mackay D, eds. Boca Raton, FL: Lewis Publ (2000)
Vapor Pressure
PressureReference
1.18X10-4 mm Hg at 25 deg CYaws CL; Handbook of Vapor Pressure. Vol 3: C8-C28 Compounds. Houston, TX: Gulf Pub Co (1994)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaInonotus ObliquusnaKoreaKim et al. 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaInonotus ObliquusnaHPLCyes


1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane

Mass-Spectra

Compound Details

Synonymous names
Eucalyptol
cineole
1,8-Cineole
470-82-6
1,8-Cineol
Cajeputol
1,8-Epoxy-p-menthane
Eucalyptole
Eucapur
Zineol
Terpan
p-Cineole
1,3,3-Trimethyl-2-oxabicyclo[2.2.2]octane
1,8-Oxido-p-menthane
Eukalyptol
CINEOL
Cucalyptol
Soledum
8000-48-4
p-Menthane, 1,8-epoxy-
Eukalyptol [Czech]
Eucalyptol (natural)
FEMA No. 2465
2-Oxabicyclo[2.2.2]octane, 1,3,3-trimethyl-
Cineole (VAN)
Eucaly
NCI-C56575
NSC-6171
2-Oxabicyclo(2.2.2)octane, 1,3,3-trimethyl-
1,3,3-Trimethyl-2-oxabicyclo(2.2.2)octane
2-Oxa-1,3,3-trimethylbicyclo(2.2.2)octane
NSC6171
NSC 6171
RV6J6604TK
DTXSID4020616
CHEBI:27961
2-Oxa-1,3,3-trimethylbicyclo[2.2.2]octane
MFCD00167977
DTXCID60616
CNL
4,7,7-trimethyl-8-oxabicyclo[2.2.2]octane
Eucalyptol [USAN]
NCGC00091666-01
NCGC00091666-04
EUCALYPTOL (II)
EUCALYPTOL [II]
CINEOLE (MART.)
CINEOLE [MART.]
EUCALYPTOL (USP-RS)
EUCALYPTOL [USP-RS]
CINEOLE (EP MONOGRAPH)
CINEOLE [EP MONOGRAPH]
(1s,4s)-1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
EUCALYPTOL (USP IMPURITY)
EUCALYPTOL [USP IMPURITY]
EUCALYPTOL (USP MONOGRAPH)
EUCALYPTOL [USP MONOGRAPH]
Eucalyptol 1000 ug/mL in Methanol
UNII-RV6J6604TK
CAS-470-82-6
SMR000471853
1,8 Cineole
CCRIS 3727
HSDB 991
Cineole (Eucalyptol)
1,8 Cineol
1,8 Epoxy p menthane
Eucalyptol [USAN:USP]
EINECS 207-431-5
cineoles
Rosatra
Terpane
Cyneol
BIDD:ER0481
AI3-00578
2,2,4-trimethyl-3-oxabicyclo[2.2.2]octane
Eucalyptol,(S)
Germ Free ARIA
Eucalyptol (USP)
1.8-cineole
1_8_cineole
Eucalyptol, 99%
Eucalyptol, Ph Helv
p-Menthane,8-epoxy-
1,8-Oxido-p-methane
EUCALYPTOL [MI]
WLN: T66 A B AOTJ B1 B1 F1
CINEOLE [INCI]
EUCALYPTOL [FCC]
Spectrum2_000221
Spectrum3_000683
Spectrum4_001747
Spectrum5_000704
EUCALYPTOL [FHFI]
EUCALYPTOL [HPUS]
EUCALYPTOL [HSDB]
EUCALYPTOL [INCI]
CINEOLE [WHO-DD]
EUCALYPTOL [VANDF]
bmse000523
EC 207-431-5
SCHEMBL19622
SCHEMBL41020
BSPBio_002405
KBioGR_002194
MLS001050089
MLS001066338
DivK1c_000333
SPECTRUM1500294
SPBio_000261
Eucalyptol, analytical standard
CHEMBL485259
GTPL2464
CHEMBL1231862
CHEMBL1397305
SCHEMBL13554591
SCHEMBL17836873
SCHEMBL23876132
CHEBI:23243
HMS501A15
KBio1_000333
KBio3_001625
NINDS_000333
P-METHANE, 1,8-EPOXY-
HMS2271P04
Pharmakon1600-01500294
HY-N0066
Tox21_111161
Tox21_202090
Tox21_302902
BDBM50459887
CCG-36080
NSC760388
AKOS015903223
AKOS016034339
AKOS037514637
Tox21_111161_1
CCG-266254
CS-8146
DB03852
LMPR0102090019
NSC-760388
Eucalyptol 1000 microg/mL in Methanol
IDI1_000333
Eucalyptol, tested according to Ph.Eur.
NCGC00091666-02
NCGC00091666-03
NCGC00091666-05
NCGC00095774-01
NCGC00178671-01
NCGC00256479-01
NCGC00259639-01
NCGC00389703-01
AC-20234
Eucalyptol, natural, >=99%, FCC, FG
LS-13868
NCI60_005108
1,3-Trimethyl-2-oxabicyclo[2.2.2]octane
2-Oxa-1,3-trimethylbicyclo[2.2.2]octane
DB-070775
2-Oxabicyclo[2.2.2]octane,3,3-trimethyl-
NS00002794
Rosatra Synergyfor treatment of Acne Rosacea
C09844
D04115
AB01563262_01
Q161572
SR-01000763816
SR-01000763816-2
W-106080
1,8-Cineole, primary pharmaceutical reference standard
1,3,3-TRIMETHYL-2-OXABICYCLO(2.2.2.)OCTANE
Cineole, European Pharmacopoeia (EP) Reference Standard
Eucalyptol, certified reference material, TraceCERT(R)
F0001-1260
Eucalyptol, United States Pharmacopeia (USP) Reference Standard
Eucalyptol (cineole), Pharmaceutical Secondary Standard; Certified Reference Material
InChI=1/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H
Microorganism:

Yes

IUPAC name1,3,3-trimethyl-2-oxabicyclo[2.2.2]octane
SMILESCC1(C2CCC(O1)(CC2)C)C
InchiInChI=1S/C10H18O/c1-9(2)8-4-6-10(3,11-9)7-5-8/h8H,4-7H2,1-3H3
FormulaC10H18O
PubChem ID2758
Molweight154.25
LogP2.5
Atoms11
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationethers terpenes
CHEBI-ID27961
Supernatural-IDSN0407877

mVOC Specific Details

Boiling Point
DegreeReference
176 °C peer reviewed
Volatilization
The Henry's Law constant for 1,8-cineole is estimated as 1.1X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 1.90 mm Hg(1), and water solubility, 3.5X10+3 mg/L(2). This Henry's Law constant indicates that cineole is expected to volatilize from water surfaces(3). 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)(3) is estimated as 13 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)(3) is estimated as 8 days(SRC). 1,8-Cineole's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). The potential for volatilization of 1,8-cineole from dry soil surfaces may exist(SRC) based upon the vapor pressure(1).
Literature: (1) Riddick JA et al, eds; Techniques of Chemistry. 4th ed. Vol II. Organic Solvents. New York, NY: John Wiley and Sons, (1985) (2) Yalkowsky SH et al; Handbook of Aqueous Solubility Data. 2nd ed., Boca Raton, FL: CRC Press p. 730 (2010) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Soil Adsorption
The Koc of 1,8-cineole is estimated as 220(SRC), using a log Kow of 2.74(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that 1,8-cineole is expected to have moderate mobility in soil. In soil infiltration studies using secondary effluent from Fort Polk, LA collected Nov 4-5 1980, 1,8-cineole, present at 0.091 ug/L, was not detected in column fluid effluents on the second inundation cycle(4).
Literature: (1) Griffin S et al; J Chromatogr 864: 221-28 (1999) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Nov, 2012. Available from, as of Apr 20, 2014: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Hutchins SR et al; Environ Toxicol Chem 2: 195-216 (1983)
Vapor Pressure
PressureReference
1.90 mm Hg at 25 deg CRiddick, J.A., W.B. Bunger, Sakano T.K. Techniques of Chemistry 4th ed., Volume II. Organic Solvents. New York, NY: John Wiley and Sons., 1985., p. 307
MS-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaHypoxylon AnthochroumNAMacías-Rubalcava et al. 2018
ProkaryotaErwinia Amylovoraenhances Arabidopsis thaliana shoot and root growthbacterial collection of the LabParmagnani et al. 2023
EukaryotaHypoxylon Anthochroumnaendophytic in Bursera lancifoliaUlloa-Benítez et al. 2016
EukaryotaHypoxylon AnthochroumNAShaw et al. 2015
EukaryotaGloeophyllum OdoratumNAKahlos et al. 1994
EukaryotaFistulina HepaticaNAWu et al. 2005
EukaryotaFusarium FujikuroiNABrock et al. 2011
EukaryotaGanoderma Lucidumnasaprophytic on deciduous treesCampos Ziegenbein et al. 2006
EukaryotaAntrodia CinnamomeananaLu et al. 2014
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
EukaryotaSaccharomyces EubayanusNANAMardones et al. 2022
Meyerozyma GuilliermondiiXiong et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaHypoxylon Anthochroumrice medium (RM, 300g of rice and 300ml of water)SPME, GC-MSyes
ProkaryotaErwinia AmylovoraSBSE/GC-MSno
EukaryotaHypoxylon AnthochroumPDA/WA + 500 mg l^-1 ChloramphenicolSPME-GC/MSyes
EukaryotaHypoxylon Anthochroumno
EukaryotaGloeophyllum Odoratumno
EukaryotaFistulina Hepaticano
EukaryotaFusarium Fujikuroino
EukaryotaGanoderma LucidumnaGC/MSno
EukaryotaAntrodia CinnamomeaPDAGC/MSyes
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
EukaryotaSaccharomyces EubayanusYPD agar media (yeast extract 1%, peptone 2%, glucose 2% and agar 2%)HS‐SPME‐GC‐MSno
Meyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno


Ethoxyethane

Mass-Spectra

Compound Details

Synonymous names
DIETHYL ETHER
ether
Ethyl ether
Ethoxyethane
60-29-7
Pronarcol
Diethyl oxide
Ethyl oxide
Aether
DIETHYLETHER
Solvent ether
Anesthetic ether
Anaesthetic ether
3-Oxapentane
Ether, ethyl
Diaethylaether
Dwuetylowy eter
Ether ethylique
Etere etilico
Ethane, 1,1'-oxybis-
Anesthesia ether
Oxyde d'ethyle
1,1'-Oxybisethane
Diethylaether
1,1'-oxydiethane
Sulfuric ether
aether pro narcosi
Ethyl ether, tech.
RCRA waste number U117
Etherum
NSC 100036
NSC-100036
DTXSID3021720
CHEBI:35702
0F5N573A2Y
(C2H5)2O
MFCD00011646
Ether [JAN]
Diaethylaether [German]
Etere etilico [Italian]
Dwuetylowy eter [Polish]
Ether ethylique [French]
Oxyde d'ethyle [French]
Ether, Diethyl
667919-88-2
HSDB 70
Et2O
Ether [USP:JAN]
ETHER, ANHYDROUS
ethane, 1,1'-oxybis
EINECS 200-467-2
UN1155
RCRA waste no. U117
dietylether
Diethyether
di ethylether
di-ethylether
diehtyl ether
diethyl-ether
ether anhydrous
ethoxy-ethane
monoethyl ether
Anhydrous ether
diethl ether
diethy ether
dietyl ether
ehtyl ether
ethyl-ether
diethyI ether
UNII-0F5N573A2Y
2-ethoxyethane
AI3-24233
di ethyl ether
di-ethyl ether
ethyl ether-
EtOEt
Ether anaesthesicus
1-Ethoxyethane #
Ethane,1'-oxybis-
Diethyl ether [Anaesthetics, volatile]
1,1' -oxybisethane
1,1'-oxy-bisethane
1,1'-oxybis ethane
OEt2
1,1'-oxobis(ethane)
1,1'-oxybis(ethane)
ETHERUM [HPUS]
ETHER [VANDF]
ETHER [HSDB]
Ether (JP17/USP)
ETHER [II]
ETHYL ETHER [MI]
EC 200-467-2
Diethyl ether, HPLC Grade
ETHYL ETHER [INCI]
O(Et)2
Diethyl ether or ethyl ether
Diethylether (Peptide Grade)
ETHER [EP MONOGRAPH]
Diethyl ether, >=99.5%
CHEMBL16264
ETHER [USP MONOGRAPH]
ETHYL ETHER [WHO-DD]
Ethyl ether anhydrous A.C.S.
SOLVENT ETHER [MART.]
DTXCID101720
O(CH2CH3)2
WLN: 2O2
Diethyl ether, p.a., 99.0%
Diethyl ether, p.a., 99.5%
Diethyl ether, analytical standard
ANAESTHETIC ETHER [WHO-IP]
DIETHYL ETHER (ETHYL ETHER)
O(C2H5)2
Diethylether (Peptide Grade), 99%
NSC100036
STL445704
AKOS015950740
Diethyl ether, ACS reagent, 99.5%
DB13598
Diethyl ether, Spectrophotometric Grade
UN 1155
69013-19-0
69227-20-9
70131-58-7
71011-10-4
Diethyl ether, purum, >=99.0% (GC)
ETHER ANAESTHESICUS [WHO-IP LATIN]
Diethylether 100 microg/mL in Acetonitrile
D3479
Diethyl ether, SAJ first grade, >=99.0%
NS00001638
Diethyl ether, JIS special grade, >=99.5%
D01772
Diethyl ether, UV HPLC spectroscopic, 99.9%
Diethyl ether, anhydrous, 99.5%, ?50 ppm H2O
Ethyl ether anhydrous stabilized with 5ppm of BHT
Q202218
Diethyl ether, Laboratory Reagent, >=99.5% (GC)
Diethyl ether, for HPLC, >=99.9%, inhibitor-free
Diethyl ether, for UV-spectroscopy, >=99.8% (GC)
InChI=1/C4H10O/c1-3-5-4-2/h3-4H2,1-2H
1-hydroperoxy-8-carboxyoctyl 3,4-epoxynon-(2E)-enyl ether
Diethyl ether or ethyl ether [UN1155] [Flammable liquid]
Diethyl ether, anhydrous, ACS, 99% min, stab. with BHT
Diethyl ether, puriss., 99.0%, contains 0.0025% BHT
Diethyl ether anhydrous ACS grade stabilized with 5ppm of BHT
Diethyl ether, puriss. p.a., ACS reagent, >=99.8% (GC)
Diethyl ether, Spectrophotometric Grade, 99%, inhibitor free
Ethyl ether, anhydrous, stabilized with BHT, Max water 50ppm
Diethyl ether, AR, contains 5 ppm BHT as stabilizer, >=99.5%
Diethyl ether, for HPLC, contains 5 ppm BHT as stabilizer, >=99%
Diethyl ether, LR, contains 5 ppm BHT as stabilizer, >=99.5%
Diethyl ether, p.a., ACS reagent, 99.5%, contains 0.0025% BHT
Diethyl ether, spectrophotometric grade, >=99.9%, inhibitor-free
Diethyl ether, ACS reagent, anhydrous, >=99.0%, contains BHT as inhibitor
Diethyl ether, anhydrous, ACS reagent, >=99.0%, contains BHT as inhibitor
Diethyl ether, anhydrous, contains 5 ppm BHT as stabilizer, >=99.5%
Diethyl ether, contains 1 ppm BHT as inhibitor, anhydrous, >=99.7%
Diethyl ether, ACS reagent, >=98.0%, contains ~2% ethanol and ~10ppm BHT as inhibitor
Diethyl ether, ACS reagent, anhydrous, >=99.0%, contains 1 ppm BHT as inhibitor
Diethyl ether, anhydrous, ACS reagent, >=99.0%, contains 1 ppm BHT as inhibitor
Diethyl Ether, Pharmaceutical Secondary Standard; Certified Reference Material
Diethyl ether, puriss., dried over molecular sieve (H2O <=0.005%), >=99.8% (GC)
Diethyl ether, puriss., meets analytical specification of Ph.??Eur., BP, >=99.5% (GC)
Diethyl ether, reagent grade, >=98%, contains ~2% ethanol and ~10ppm BHT as inhibitor
68890-94-8
68890-95-9
Diethyl ether, contains BHT as inhibitor, puriss. p.a., ACS reagent, reag. ISO, reag. Ph. Eur., >=99.8%
Diethyl ether, puriss., dried over molecular sieve Deperox Dehydrat (H2O <=0.005%), >=99.8% (GC)
Microorganism:

Yes

IUPAC nameethoxyethane
SMILESCCOCC
InchiInChI=1S/C4H10O/c1-3-5-4-2/h3-4H2,1-2H3
FormulaC4H10O
PubChem ID3283
Molweight74.12
LogP0.9
Atoms5
Bonds2
H-bond Acceptor1
H-bond Donor0
Chemical Classificationethers
CHEBI-ID35702
Supernatural-IDSN0335274

mVOC Specific Details

Boiling Point
DegreeReference
34.6 °C peer reviewed
Volatilization
The Henry's Law constant for diethyl ether is 1.23X10-3 atm-cu m/mole(1). This Henry's Law constant indicates that diethyl ether is expected to volatilize from water surfaces(2). Based on this Henry's Law constant, the estimated volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is approximately 3.1 hours(SRC). The estimated volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is approximately 3.6 days(SRC). Diethyl ether's Henry's Law constant(1) indicates that volatilization from moist soil surfaces may occur(SRC). Volatilization of diethyl ether from dry soil surfaces is expected(SRC) based upon an extrapolated vapor pressure of 538 mm Hg(3).
Literature: (1) Bocek K; Experientia, Suppl 23: 231-40 (1976) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington,DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals: Data Compilation. Design Inst Phys Prop Data, Amer Inst Chem Eng., NY,NY: Hemisphere Pub Corp, Vol 2 (1995)
Soil Adsorption
The Koc of diethyl ether is estimated as approximately 73(SRC), using a log Kow of 0.89(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that diethyl ether is expected to have high mobility in soil(SRC). A vapor-phase partition coefficient of 15.49 was measured for diethyl ether at 30 deg C in the silt and clay size fraction of a calcareous soil (1.2% organic carbon w/w) from Southern Nevada at 52% relative humidity(4).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR (consult ed) Washington,DC: Amer Chem Soc p. 10 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington,DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 23 (1983) (4) Steinberg SM, Kreamer DK; Environ Sci Technol 27: 883-88 (1993)
Vapor Pressure
PressureReference
538 mm Hg at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaKlebsiella PneumoniaeNARees et al. 2017
ProkaryotaKlebsiella PneumoniaeNARees et al. 2016a
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaKlebsiella PneumoniaeLBSPME / GCxGC-TOFMSno
ProkaryotaKlebsiella PneumoniaeLB GCxGC-TOF-MSno


2-methoxy-4-prop-2-enylphenol

Mass-Spectra

Compound Details

Synonymous names
eugenol
97-53-0
4-Allyl-2-methoxyphenol
4-Allylguaiacol
Eugenic acid
Allylguaiacol
p-Eugenol
Caryophyllic acid
p-Allylguaiacol
2-Methoxy-4-prop-2-enylphenol
2-Methoxy-4-allylphenol
Phenol, 2-methoxy-4-(2-propenyl)-
Engenol
1,3,4-Eugenol
2-Methoxy-4-(2-propenyl)phenol
5-Allylguaiacol
Synthetic eugenol
1-Hydroxy-2-methoxy-4-allylbenzene
4-Allylcatechol-2-methyl ether
2-Methoxy-1-hydroxy-4-allylbenzene
4-Allyl-1-hydroxy-2-methoxybenzene
bioxeda
1-Hydroxy-2-methoxy-4-prop-2-enylbenzene
2-methoxy-4-(prop-2-en-1-yl)phenol
2-Hydroxy-5-allylanisole
FEMA No. 2467
4-Hydroxy-3-methoxy-1-allylbenzene
4-Hydroxy-3-methoxyallylbenzene
2-Methoxy-4-(2-propen-1-yl)phenol
Eugenol (natural)
Phenol, 4-allyl-2-methoxy-
4-Allylcatechol 2-methyl ether
NCI-C50453
1-allyl-4-hydroxy-3-methoxybenzene
1-Allyl-3-methoxy-4-hydroxybenzene
Caswell No. 456BC
FEMA Number 2467
2-Metoksy-4-allilofenol
CCRIS 306
FA 100
CHEBI:4917
HSDB 210
NSC 209525
Caryophillic acid
NSC-8895
EINECS 202-589-1
Eugenol (USP)
Eugenol [USP]
EPA Pesticide Chemical Code 102701
NSC-209525
UNII-3T8H1794QW
BRN 1366759
DTXSID9020617
Phenol, 2-methoxy-4-(2-propen-1-yl)-
AI3-00086
3T8H1794QW
MFCD00008654
naturel
CHEMBL42710
DTXCID90617
2-Methoxy-4-(3-propenyl)phenol
2-methoxy-4-prop-2-enyl-phenol
EC 202-589-1
3-(3-methoxy-4-hydroxyphenyl)propene
NCGC00091449-05
EUGENOL (IARC)
EUGENOL [IARC]
EUGENOL (II)
EUGENOL [II]
EUGENOL (MART.)
EUGENOL [MART.]
EUGENOL (USP-RS)
EUGENOL [USP-RS]
Eugenol [USAN]
WLN: 1U2R DQ CO1
EUGENOL (EP MONOGRAPH)
EUGENOL [EP MONOGRAPH]
EUGENOL (USP MONOGRAPH)
EUGENOL [USP MONOGRAPH]
CAS-97-53-0
2-Metoksy-4-allilofenol [Polish]
SR-05000002043
allylguaicol
natural
naturale
oogenol
phenylpropanoid
redistillation
Eugenolum
fractionation,
animal feed
water white
Dentek Eugenol
alim ue
fami qs
Teething Gel
ugenol,
eugenic acid,
clove,
Isolate,
US Pharmacopoeia
Eugenol BP
flash distillation
clove oil fraction
Nuby Teething Gel
Eugenol,(S)
1-hydroxy-4-allyl-2-methoxybenzene
Red Cross Toothache
British Pharmacopoeia
clove oil terpeneless
eugenol for synthesis
Eugenol1518
4-allyl-2methoxyphenol
3s0e
EFEUF,
EUGENOL [VANDF]
EUGENOL [FHFI]
EUGENOL [HSDB]
EUGENOL [INCI]
Marshall Toothache Drops
4-allyl 2-methoxyphenol
EUGENOL [FCC]
EUGENOL [MI]
Spectrum2_001264
Spectrum3_000646
Spectrum4_001783
Spectrum5_000425
EUGENOL [WHO-DD]
4-allyl-2-methoxy-Phenol
bmse010053
Epitope ID:114091
Eugenol, puriss., 98%
AnaDent Childrens Kanka Gel
Eugenol Toothache Medication
SCHEMBL20361
BSPBio_002251
KBioGR_002327
MLS000028901
SEUGE0001
BIDD:ER0696
DivK1c_000692
SPECTRUM1500296
SPBio_001228
GTPL2425
HMS502C14
KBio1_000692
KBio3_001471
Eugenol, ReagentPlus(R), 99%
NSC8895
4-(2-Propenyl)-2-methoxyphenol
Eugenol, natural, >=98%, FG
NINDS_000692
Eugenol, >=98%, FCC, FG
HMS1920O08
HMS2091F09
Pharmakon1600-01500296
2-methoxy-4-(2-propenyl)-phenol
HY-N0337
Tox21_111134
Tox21_202040
Tox21_300105
BBL027721
BDBM50164168
CCG-38827
NSC209525
NSC757030
s4706
STL371304
Eugenol, tested according to Ph.Eur.
AKOS000121354
Tox21_111134_1
CS-7807
DB09086
FS-2702
NSC-757030
SDCCGMLS-0066578.P001
IDI1_000692
USEPA/OPP Pesticide Code: 102701
Eugenol 1000 microg/mL in Acetonitrile
NCGC00091449-01
NCGC00091449-02
NCGC00091449-03
NCGC00091449-04
NCGC00091449-06
NCGC00091449-07
NCGC00091449-08
NCGC00091449-10
NCGC00253915-01
NCGC00259589-01
AC-34149
Eugenol, Vetec(TM) reagent grade, 98%
SMR000059114
2-METHOXY-4-(2'-PROPENYL)PHENOL
SBI-0051381.P003
DB-261256
Eugenol, PESTANAL(R), analytical standard
A0232
NS00003629
EN300-16622
D04117
AB00051992_02
A845719
Eugenol, primary pharmaceutical reference standard
Q423357
Eugenol, certified reference material, TraceCERT(R)
Q-201105
SR-05000002043-1
SR-05000002043-2
BRD-K32977963-001-01-9
BRD-K32977963-001-03-5
Z56347226
EUGENOL (CONSTITUENT OF HOLY BASIL LEAF) [DSC]
Eugenol, European Pharmacopoeia (EP) Reference Standard
F0001-2306
2-methoxy-4-(prop-2-en-1-yl)phenol4-allyl-2-methoxyphenol
EUGENOL (CONSTITUENT OF CINNAMOMUM CASSIA BARK) [DSC]
EUGENOL (CONSTITUENT OF CINNAMOMUM VERUM BARK) [DSC]
Eugenol, United States Pharmacopeia (USP) Reference Standard
Eugenol, Pharmaceutical Secondary Standard; Certified Reference Material
InChI=1/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H
Microorganism:

Yes

IUPAC name2-methoxy-4-prop-2-enylphenol
SMILESCOC1=C(C=CC(=C1)CC=C)O
InchiInChI=1S/C10H12O2/c1-3-4-8-5-6-9(11)10(7-8)12-2/h3,5-7,11H,1,4H2,2H3
FormulaC10H12O2
PubChem ID3314
Molweight164.2
LogP2
Atoms12
Bonds3
H-bond Acceptor2
H-bond Donor1
Chemical Classificationaromatic compounds ethers phenols terpenes benzenoids phenylpropenes
CHEBI-ID4917
Supernatural-IDSN0332901

mVOC Specific Details

Boiling Point
DegreeReference
225 °C peer reviewed
Volatilization
The Henry's Law constant for eugenol is estimated as 1.92X10-6 atm-cum/mole(SRC) derived from its extrapolated vapor pressure, 0.0221 mm Hg at 25deg C(1), and water solubility, 2460 mg/L at 25 deg C(2). This Henry's Law constant indicates that eugenol is expected to volatilize slowly from water surfaces(3). 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)(3) is estimated as 25 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)(3) is estimated as 183 days(SRC). Eugenol's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). A theoretical model of soil volatilization predicts that 4-33% of eugenol applied to a soil surface will volatilize during the first 10 days(4); the fastest volatilization rates occur with lowest soil organic content and moisture content(4). Although eugenol's vapor pressure might suggest that volatilization from dry soil will not occur, the compound is used in fragrance and odorant applications that result in inhalation exposure(SRC); therefore, volatilization from dry soil is expected to occur(SRC).
Literature: (1) Van Roon A et al; Chemosphere 61: 599-609 (2005) (2) Yalkowky SH et al; Handbook of Aqueous Solubility Data 2nd ed., Boca Raton, FL: CRC Press, p. 687(2010) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (4) Van Roon A et al; Chemosphere 61: 129-138 (2005)
Soil Adsorption
The Koc of eugenol is estimated as 340(SRC), using a log Kow of 2.49(1) and a regression-derived equation(2). According to a classification scheme(3), these estimated Koc values suggest that eugenol is expected to have moderate to lowmobility in soil.
Literature: (1) Dias NC et al; Analyst 128: 427-433 (2003) (2) US EPA; Estimation Program Interface (EPI) Suite. Ver. 4.1. Jan, 2011.Available from, as of Jun 26, 2012: http://www.epa.gov/oppt/exposure/pubs/episuitedl.htm (3) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.0221 mm Hg at 25 deg CVan Roon A et al; Chemosphere 61: 599-609 (2005)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaLactobacillus Plantarumginkgo biloba kernel juicetriple quadrupole GC-MSno
EukaryotaAntrodia CinnamomeaPDAGC/MSyes
Lactiplantibacillus Plantarumfermentation of ginkgo kernel juiceGC-IMSno
Kluyveromyces MarxianusSauce Meat during StorageSPME–GC–MSno
Saccharomyces CerevisiaeSauce Meat during StorageSPME–GC–MSno


5-prop-2-enyl-1,3-benzodioxole

Mass-Spectra

Compound Details

Synonymous names
safrole
94-59-7
Safrol
5-Allyl-1,3-benzodioxole
Shikimole
Shikomol
Sassafras
Safrene
Safrole MF
Shikimol
1,3-Benzodioxole, 5-(2-propenyl)-
Allylcatechol methylene ether
5-(2-Propenyl)-1,3-benzodioxole
m-Allylpyrocatechin methylene ether
4-Allyl-1,2-methylenedioxybenzene
Allylpyrocatechol methylene ether
3,4-(Methylenedioxy)allylbenzene
4-Allylpyrocatechol formaldehyde acetal
5-prop-2-enyl-1,3-benzodioxole
1-Allyl-3,4-methylenedioxybenzene
Allyldioxybenzene methylene ether
RCRA waste number U203
Caswell No. 729
1,2-Methylenedioxy-4-allylbenzene
Benzene, 4-allyl-1,2-(methylenedioxy)-
1,3-Benzodioxole, 5-allyl-
CCRIS 553
NSC 11831
Benzene, 1,2-methylenedioxy-4-allyl-
HSDB 2653
EINECS 202-345-4
EPA Pesticide Chemical Code 097901
UNII-RSB34337V9
BRN 0136380
CHEBI:8994
3,4-methylenedioxy-allylbenzene
3-(3,4-Methylenedioxyphenyl)prop-1-ene
DTXSID0021254
AI3-00514
RSB34337V9
NSC-11831
4-Allyl-1,2-(methylenedioxy)benzene
DTXCID601254
(Allyldioxy)benzene methylene ether
5-19-01-00553 (Beilstein Handbook Reference)
NSC11831
1,2-methylenedioxy-4-allyl-Benzene
1-Allyl-3,4-(methylenedioxy)benzene
(1,2-(Methylenedioxy)-4-allyl)benzene
M-ALLYL PYROCATECHINMETHYLENE ETHER
SAFROLE (IARC)
SAFROLE [IARC]
1,3-Benzodioxole, 5-(2-propen-1-yl)-
3-[(3,4-Methylenedioxy)phenyl]-1-propene
5-(prop-2-en-1-yl)-2H-1,3-benzodioxole
SAFROLE (USP-RS)
SAFROLE [USP-RS]
5-allyl-benzo(1,3)dioxole
5-allyl-benzo[1,3]dioxole
Safroles
Safrols
CAS-94-59-7
[1,2-(Methylenedioxy)-4-allyl]benzene
RCRA waste no. U203
Safrol glass
5-allylbenzo[d][1,3]dioxole
4 Allyl 1,2 methylenedioxybenzene
4-Allyl-1,2-methylenedioxybenzenes
Alda-89
Spectrum_001446
Safrole, >=97%
1, 5-allyl-
SAFROLE [MI]
Spectrum2_000775
Spectrum3_001105
Spectrum4_001939
Spectrum5_000843
5-Allylbenzo[1,3]dioxole
1, 5-(2-propenyl)-
5-allyl-benzo-1,3-dioxole
SCHEMBL56828
BSPBio_002810
KBioGR_002319
KBioSS_001926
MLS001056251
DivK1c_001022
SPECTRUM1503620
SPBio_000850
3,4-Methylenedioxy-allybenzene
Safrole, 10mg/ml in Methanol
CHEMBL242273
5-?Allyl-?1,3-?benzodioxole
SCHEMBL13045858
HMS503M05
KBio1_001022
KBio2_001926
KBio2_004494
KBio2_007062
KBio3_002030
NINDS_001022
HMS1922E22
NCI-C00362
3, 4-(Methylenedioxy)allylbenzene
1-Allyl,3,4-methylenedioxy benzene
Tox21_202439
Tox21_300520
MFCD00005841
1,2-(Methylenedioxy)-4-allylbenzene
WLN: T56 BO DO CHJ G2U1
(E)5-1-Propenyl]-1,3-benzodioxole
AKOS016017163
1, 2-(Methylenedioxy)-4-allylbenzene
4-?Allyl-?1,2-?methylenedioxybenzene
4-Allyl-1, 2-(methylenedioxy)benzene
5-Allyl-1,3-benzodioxolerlet DS Base
CCG-214763
FS-3451
SDCCGMLS-0066708.P001
3-(3,4-methylendioxyphenyl)-1-propene
5-(2-propen-1-yl)-1,3-benzodioxole
IDI1_001022
USEPA/OPP Pesticide Code: 097901
NCGC00091122-01
NCGC00091122-02
NCGC00091122-03
NCGC00091122-04
NCGC00091122-05
NCGC00091122-06
NCGC00091122-07
NCGC00254416-01
NCGC00259988-01
AC-34312
SMR001216599
5-(2-Propenyl)-1,3-benzodioxole, 9CI
4-Allyl-1,2-(methylenedioxy)benzene, 8CI
DB-057512
NS00017606
Q412424
SR-05000002392
Safrole, certified reference material, TraceCERT(R)
SR-05000002392-1
BENZENE,1-ALLYL,3,4-METHYLENEDIOXY SAFROLE
4-Allyl-1,2-methylenedioxybenzene; 5-Prop-2-enyl-1,3-benzodioxole
InChI=1/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H
Microorganism:

No

IUPAC name5-prop-2-enyl-1,3-benzodioxole
SMILESC=CCC1=CC2=C(C=C1)OCO2
InchiInChI=1S/C10H10O2/c1-2-3-8-4-5-9-10(6-8)12-7-11-9/h2,4-6H,1,3,7H2
FormulaC10H10O2
PubChem ID5144
Molweight162.18
LogP3
Atoms12
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds benzenoids ethers heterocyclic compounds cyclic ethers phenylpropenes
CHEBI-ID8994
Supernatural-IDSN0474521

mVOC Specific Details

Boiling Point
DegreeReference
235 °C peer reviewed
Volatilization
The Henry's Law constant for safrole is estimated as 9.1X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that safrole 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 5.3 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 42 days(SRC). Safrole's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Safrole is not expected to volatilize from dry soil surfaces(SRC) based upon an extrapolated vapor pressure of 0.0706 mm Hg(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) Ohe S; Computer Aided Data Book of Vapor Pressure. Data Book Publ. Co., Tokyo, Japan (1976)
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc for safrole can be estimated to be 300(SRC). According to a classification scheme(2), this estimated Koc value suggests that safrole is expected to have moderate mobility in soil.
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
0.0706 mm Hg at 25 deg C /Extrapolated/Ohe S; Computer Aided Data Book of Vapor Pressure. Data Book Publ. Co., Tokyo, Japan (1976)
MS-Links
1D-NMR-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaAntrodia CinnamomeananaLu et al. 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaAntrodia CinnamomeaPDAGC/MSyes


2-(2-hydroxyethylsulfanyl)ethanol

Mass-Spectra

Compound Details

Synonymous names
thiodiglycol
2,2'-Thiodiethanol
111-48-8
Thiodiethanol
Thiodiethylene glycol
Tedegyl
Bis(2-hydroxyethyl) sulfide
Kromfax solvent
Ethanol, 2,2'-thiobis-
Bis(2-hydroxyethyl)sulfide
2,2'-THIOBISETHANOL
2,2'-Thiodiglycol
Glyecine A
Di(2-hydroxyethyl) sulfide
2,2-Thiodiethanol
2-(2-hydroxyethylsulfanyl)ethanol
Bis(2-hydroxyethyl) thioether
bis(hydroxyethyl)sulfide
beta-Hydroxyethyl sulfide
Sulfide, bis(2-hydroxyethyl)
Thiodiglycol [INN]
Thiodiglycolum
Tiodiglicol
Tiodiglicolo
Ethanol, 2,2'-thiodi-
Dihydroxyethyl sulfide
Diethanol sulfide
Bis(beta-hydroxyethyl) sulfide
beta,beta'-Dihydroxyethyl sulfide
beta,beta'-Dihydroxydiethyl sulfide
Bis(beta-hydroxyethyl)sulfide
2-[(2-hydroxyethyl)sulfanyl]ethan-1-ol
2,2'-Thiobis(ethanol)
3-Thiapentane-1,5-diol
beta-Thiodiglycol
Kromfax@ Solvent
NSC 6289
Bis(2-hydroxyethyl) sulphide
.beta.-Thiodiglycol
2-[(2-hydroxyethyl)thio]ethanol
NSC-6289
2,2'-Thiobis[ethanol]
2,2'-sulfanediyldiethanol
.beta.-Hydroxyethyl sulfide
Bis(b-hydroxyethyl) sulfide
beta-Bis(hydroxyethyl) sulfide
DTXSID6026878
CHEBI:75184
.beta.-Bis(hydroxyethyl) sulfide
Bis(.beta.-hydroxyethyl) sulfide
9BW5T43J04
MFCD00002910
.beta.,.beta.'-Dihydroxyethyl sulfide
.beta.,.beta.'-Dihydroxydiethyl sulfide
NCGC00095074-01
DTXCID506878
Tiodiglicolo [DCIT]
2,2'-sulfobisethanol
Tiodiglicol [INN-Spanish]
Thiodiglycolum [INN-Latin]
28516-38-3
CAS-111-48-8
HSDB 7482
EINECS 203-874-3
BRN 1236325
UNII-9BW5T43J04
AI3-05541
Ethanol,2'-thiodi-
Ethanol,2'-thiobis-
2-Hydroxyethyl Sulfide
Spectrum_001701
2-Methylsulfone ethanol
beta-hydroxyethyl sulfid
2,2'-Thiodi-Ethanol
2,2'-Thiobis-Ethanol
Spectrum2_000407
Spectrum4_000213
EC 203-874-3
THIODIGLYCOL [HSDB]
THIODIGLYCOL [INCI]
WLN: Q2S2Q
SCHEMBL40132
KBioGR_000845
KBioSS_002181
1,5-dihydroxy-3-thiapentane
2,2'-thiobis(ethan-1-ol)
SPECTRUM1503325
2-(2-hydroxyethylthio)ethanol
bis-(2-hydroxyethyl) sulphide
SPBio_000334
CHEMBL444480
SCHEMBL6679983
KBio2_002181
KBio2_004749
KBio2_007317
2,2'-Thiodiethanol, >=99%
NSC6289
HMS1922I18
Pharmakon1600-01503325
2,2'-THIODIETHANOL [MI]
HY-B0913
Tox21_111413
Tox21_200827
CCG-39716
NSC758456
STL302034
AKOS009031578
Tox21_111413_1
MCULE-5502656030
NSC-758456
1ST159274_C
NCGC00095074-02
NCGC00095074-03
NCGC00095074-05
NCGC00258381-01
2,2'-Thiodiethanol, >=99.0% (GC)
SBI-0051909.P002
DB-060096
NS00009553
T0202
2,2'-Thiodiethanol, purum, >=95.0% (GC)
2,2'-Thiodiethanol 1000 microg/mL in Methanol
AB00052435_02
2,2'-Thiodiethanol, puriss., >=98.5% (GC)
A802371
Q418117
SR-01000872773
J-002590
SR-01000872773-1
InChI=1/C4H10O2S/c5-1-3-7-4-2-6/h5-6H,1-4H
2,2'-Thiodiethanol, >=99.0%, suitable for amino acid analysis
2,2'-Thiodiethanol; 2,2'-Thiobis(ethanol), Bis(2-hydroxyethyl) sulfide, Thiodiethylene glycol, Thiodiglycol
Microorganism:

No

IUPAC name2-(2-hydroxyethylsulfanyl)ethanol
SMILESC(CSCCO)O
InchiInChI=1S/C4H10O2S/c5-1-3-7-4-2-6/h5-6H,1-4H2
FormulaC4H10O2S
PubChem ID5447
Molweight122.19
LogP-0.6
Atoms7
Bonds4
H-bond Acceptor3
H-bond Donor2
Chemical Classificationalcohols sulfides sulfur compounds thioethers
CHEBI-ID75184
Supernatural-IDSN0455751

mVOC Specific Details

Boiling Point
DegreeReference
282 deg CLide, D.R. CRC Handbook of Chemistry and Physics 86TH Edition 2005-2006. CRC Press, Taylor & Francis, Boca Raton, FL 2005, p. 3-52
Volatilization
The Henry's Law constant for thiodiglycol is estimated as 1.9X10-9 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that thiodiglycol is expected to be essentially nonvolatile from water surfaces(2) and moist soil surfaces(SRC). Thiodiglycol is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.00323 mm Hg(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) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1989)
Soil Adsorption
The Koc of thiodiglycol is estimated as 11(SRC), using a log Kow of -0.63(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that thiodigylcol is expected to have very high mobility in soil. The sorption of thiodiglycol was determined in 6 soils that were characteristic of US military installations(4). After 24 hours of equilibration, 99-100% of the original mass of thiodiglycol remained in the aqueous phase for 5 of the 6 soils(4).
Literature: (1) Hansch C et al; Exploring QSAR. Hydrophobic, Electronic, and Steric Constants. ACS Prof Ref Book. Heller SR, consult. ed., Washington, DC: Amer Chem Soc p. 10 (1995) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-9 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Lee KP, Allen HE; Environ Toxicol Chem 17: 1720-6 (1998)
Vapor Pressure
PressureReference
0.00323 at 25 deg CDaubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
MS-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaTuber Magnatumn/aItalian geographical areas ( Piedmont, Marche, Border region area between Emilia Romagna and Marche, Molise)Gioacchini et al. 2008
EukaryotaTuber Magnatumn/aItalian geographical areas ( Marche, Emilia Romagna, Border region area between Emilia Romagna and Marche)Gioacchini et al. 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTuber Magnatumn/amicroextraction-gas chromatography-mass spectrometry analysis (SPME-GC-MS)no


4-nitrosomorpholine

Compound Details

Synonymous names
N-NITROSOMORPHOLINE
59-89-2
4-Nitrosomorpholine
Nitrosomorpholine
Morpholine, 4-nitroso-
NMOR
N-Nitrosomorpholin
Morpholine, N-nitroso-
N-Nitrosomorfolin
NCI-C02164
4-Nitroso-morpholine
3L25FO7FN7
DTXSID4021056
CHEBI:76326
NSC-139
DTXCID001056
NSC 139
N-Nitrosomorfolin [Czech]
CAS-59-89-2
N-Nitrosomorpholin [German]
67587-56-8
CCRIS 473
Molsidomine impurity B
HSDB 4308
BRN 0112139
UNII-3L25FO7FN7
N-nitroso morpholine
N-Nitrosomorpholine solution
WLN: T6N DOTJ ANO
N-Nitrosomorpholine (NMOR)
CHEMBL165908
NSC139
SCHEMBL1578515
N-NITROSOMORPHOLINE [MI]
N-NITROSOMORPHOLINE [HSDB]
N-NITROSOMORPHOLINE [IARC]
Tox21_202132
Tox21_302867
MFCD00039710
STL301087
AKOS015903272
NCGC00249174-01
NCGC00256343-01
NCGC00259681-01
BS-17191
SY052130
4-Nitrosomorpholine 0.1 mg/ml in Methanol
4-Nitrosomorpholine 1.0 mg/ml in Methanol
DB-053489
HY-131123
CS-0128913
N0466
NS00010254
C19283
N-Nitrosomorpholine 100 microg/mL in Methanol
T72681
EN300-7323775
Q22138414
Z1255360497
Molsidomine impurity B, European Pharmacopoeia (EP) Reference Standard
Microorganism:

Yes

IUPAC name4-nitrosomorpholine
SMILESC1COCCN1N=O
InchiInChI=1S/C4H8N2O2/c7-5-6-1-3-8-4-2-6/h1-4H2
FormulaC4H8N2O2
PubChem ID6046
Molweight116.12
LogP-0.4
Atoms8
Bonds0
H-bond Acceptor4
H-bond Donor0
Chemical Classificationnitroso compounds nitrogen compounds morpholines heterocyclic compounds ethers
CHEBI-ID76326
Supernatural-IDSN0473195

mVOC Specific Details

Boiling Point
DegreeReference
224 °C peer reviewed
Volatilization
The Henry's Law constant for N-nitrosomorpholine is 2.45X10-8 atm-cu-m/mol at 37 °C(1). This value indicates that N-nitrosomorpholine will be essentially nonvolatile from water surfaces(2). Although N-nitrosomorpholine's estimated vapor pressure of 0.036 mm Hg at 20 °C(3) and measured Henry's Law constant suggest that volatilization from dry and moist soil is not expected to occur(SRC), inhalation toxicity studies found that N-nitrosomorpholine was volatile at room temperatures with inhalation exposure possible(4).
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc of N-nitrosomorpholine can be estimated to be 22(SRC). The Koc of N-nitrosomorpholine can be estimated as 4(SRC), using a log Kow of -0.44(2) and a regression-derived equation(1). According to a classification scheme(3), these estimated Koc values suggest that N-nitrosodiethylamine is expected to have very high mobility in soil.
Vapor Pressure
PressureReference
25
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Lactobacillus PlantarumZhang et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Lactobacillus PlantarumHabanero pepperGC–IMSno


Compound Details

Synonymous names
Oxirane
ETHYLENE OXIDE
75-21-8
Epoxyethane
1,2-Epoxyethane
Oxacyclopropane
Dihydrooxirene
Oxidoethane
Oxyfume
Ethene oxide
Dimethylene oxide
Amprolene
Anprolene
Anproline
Aethylenoxid
1,2-Epoxyaethan
Merpol
Oxiran
Oxyfume 12
T-Gas
Oxirene, Dihydro-
Ethyleenoxide
Oxiraan
Ethox
Etylenu tlenek
FEMA No. 2433
oxyde d'ethylene
Rcra waste number U115
Caswell No. 443
Qazi-ketcham
ETO
NCI-C50088
Etilene (ossido di)
alpha,beta-Oxidoethane
CCRIS 297
Ethylene (oxyde d')
ENT-26263
ethyleneoxy
HSDB 170
UN 1040
CHEBI:27561
Oxiranyl radical
UNII-JJH7GNN18P
JJH7GNN18P
EINECS 200-849-9
EPA Pesticide Chemical Code 042301
E.O.
AI3-26263
CIBA-GEIGY 9138
DTXSID0020600
EC 200-849-9
epoxide or oxirane
Sterilizing gas ethylene oxide 100%
Oxirane; Ethylene oxide
Oxiraan [Dutch]
ETHYLENE OXIDE (IARC)
ETHYLENE OXIDE [IARC]
ETHYLENE OXIDE (MART.)
ETHYLENE OXIDE [MART.]
Aethylenoxid [German]
Ethyleenoxide [Dutch]
ethyleneoxide
ethylenoxide
Etylenu tlenek [Polish]
Oxide, Ethylene
1,2-Epoxyaethan [German]
1,2-Epoxy ethane
Ethylene (oxyde d') [French]
Ethylene Oxide 1000 microg/mL in Triacetin
Etilene (ossido di) [Italian]
UN1040
RCRA waste no. U115
monooxirane
Oxiranyl
ethylene-oxide
epoxy ethane
Caswell no 443
Fema no 2433
Epitope ID:116215
.alpha.,.beta.-Oxidoethane
ETHYLENE OXIDE [MI]
DTXCID60600
ETHYLENE OXIDE [FHFI]
ETHYLENE OXIDE [HSDB]
Ethylene oxide, >=99.5%
Ethylene oxide, >=99.9%
ALPHA, BETA-OXIDOETHANE
CHEMBL1743219
ETHYLENE OXIDE [WHO-DD]
DTXSID30185475
Ethylene oxide, purum, >=99.8%
c0527
MFCD00014482
AKOS009031564
USEPA/OPP Pesticide Code: 042301
E0647
E0689
E0690
E0692
E0693
InChI=1/C2H4O/c1-2-3-1/h1-2H
NS00005032
C06548
D03474
Q407473
Ethylene oxide 50000 microg/mL in Dichloromethane
Ethylene oxide 10000 microg/mL in Dimethylsulfoxide
E O
Ethylene oxide, or ethlene oxide with nitrogen up to a total pressure of 1Mpa (10 bar) at 50 degrees C
Ethylene oxide, or ethlene oxide with nitrogen up to a total pressure of 1Mpa (10 bar) at 50 degrees C [UN1040] [Poison gas]
Microorganism:

Yes

IUPAC nameoxirane
SMILESC1CO1
InchiInChI=1S/C2H4O/c1-2-3-1/h1-2H2
FormulaC2H4O
PubChem ID6354
Molweight44.05
LogP-0.1
Atoms3
Bonds0
H-bond Acceptor1
H-bond Donor0
Chemical Classificationcyclic ethers epoxides heterocyclic compounds ethers
CHEBI-ID27561
Supernatural-IDSN0140791

mVOC Specific Details

Boiling Point
DegreeReference
10.6 °C peer reviewed
Volatilization
The Henry's Law constant for ethylene oxide is 1.48X10-4 atm-cu m/mole(1). This Henry's Law constant indicates that ethylene oxide 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 6 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 4 days(SRC). Ethylene oxide is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.31X10+3 mm Hg(3). Although no data on the volatilization of ethylene oxide from soil could be found, a study of the dissipation of ethylene oxide from fumigated commodities gave half-life values of 4 hr to 17.5 days(4).
Literature: (1) Conway RA et al; Environ Sci Technol 17:107-112 (1983) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Daubert TE, Danner RP; Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, DC: Taylor and Francis (1985) (4) Bogyo DA et al; Investigations of Selected Potential Environmental Contaminants: Epoxides. USEPA-560/11-80-005 p. 70-90 (1980)
Soil Adsorption
Koc of ethylene oxide was reported to be 2.20(1). According to a classification scheme(2), this estimated Koc value suggests that ethylene oxide is expected to have very high mobility in soil(SRC).
Literature: (1) Chu W, Chan KH; Sci Total Environ 248: 1-10 (2000) (2) Swann RL et al; Res Rev 85: 17-28 (1983)
Vapor Pressure
PressureReference
1,310 mm Hg at 25 deg C (extrapolated)Daubert, T.E., R.P. Danner. Physical and Thermodynamic Properties of Pure Chemicals Data Compilation. Washington, D.C.: Taylor and Francis, 1989.
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus Toyonensisisolate from Irish potato soilsHeenan-Daly et al. 2021
EukaryotaPleurotus Ostreatusnawidespread in many temperate and subtropical forests throughout the world, saprobeLo Cantore et al. 2015
MicrobacteriumBallot et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus ToyonensisTSB mediaSPME/GC-MSno
EukaryotaPleurotus OstreatusMEASPME-GCno
Microbacteriumtryptone soy (TS medium; Carl Roth, Karlsruhe, Germany)GC-QQQ-MSno


1-methoxy-2-phenylbenzene

Mass-Spectra

Compound Details

Synonymous names
2-Methoxybiphenyl
86-26-0
2-Phenylanisole
o-Phenylanisole
1,1'-Biphenyl, 2-methoxy-
1-methoxy-2-phenylbenzene
Anisole, o-phenyl-
Methyl diphenyl ether
2-Methoxy-1,1'-biphenyl
Biphenyl-2-yl methyl ether
292625-97-9
NSC-2148
MFCD00008367
26445-85-2
o-Phenyl anisole
2-Methoxy-biphenylate
2-METHOXY BIPHENYL
1,1'-Biphenyl, methoxy-
NSC 2148
EINECS 201-659-9
BRN 2045749
2-phenylanisol
AI3-00236
o-Methoxybiphenyl
o-Methoxydiphenyl
2-methoxy-biphenyl
ortho-phenyl anisole
DZF2F4KRH4
WLN: 1OR BR
4-06-00-04580 (Beilstein Handbook Reference)
SCHEMBL294721
2-Hydroxybiphenyl methyl ether
2-Methoxy-1,1'-biphenyl #
CHEMBL3813993
DTXSID6052584
SCHEMBL12015268
NLWCWEGVNJVLAX-UHFFFAOYSA-
NSC2148
AKOS015960814
AC-12225
BS-17660
SY050148
CS-0150311
M1713
NS00013139
D84060
2-Methoxy-1,1 inverted exclamation mark -biphenyl
InChI=1/C13H12O/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10H,1H3
Microorganism:

Yes

IUPAC name1-methoxy-2-phenylbenzene
SMILESCOC1=CC=CC=C1C2=CC=CC=C2
InchiInChI=1S/C13H12O/c1-14-13-10-6-5-9-12(13)11-7-3-2-4-8-11/h2-10H,1H3
FormulaC13H12O
PubChem ID6835
Molweight184.23
LogP3.2
Atoms14
Bonds2
H-bond Acceptor1
H-bond Donor0
Chemical Classificationbenzenoids ethers aromatic compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaMycobacterium FortuitumNANASyhre and Chambers 2008
ProkaryotaMycobacterium TuberculosisNANASyhre and Chambers 2008
ProkaryotaMycobacterium ChelonaeNANASyhre and Chambers 2008
ProkaryotaMycobacterium AviumNANASyhre and Chambers 2008
ProkaryotaMycobacterium BovisNANASyhre and Chambers 2008
ProkaryotaMycobacterium AbscessusNANASyhre and Chambers 2008
ProkaryotaStigmatella Aurantiacan/aRespiratory clinical isolates (Canterbury Health Laboratories, Christchurch, New Zealand)Syhre et al. 2008
ProkaryotaMycobacterium Tuberculosisn/aRespiratory clinical isolates (Canterbury Health Laboratories, Christchurch, New Zealand)Syhre et al. 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaMycobacterium Fortuitumsheep blood agarSPME/GC-MSno
ProkaryotaMycobacterium Tuberculosissheep blood agarSPME/GC-MSno
ProkaryotaMycobacterium Chelonaesheep blood agarSPME/GC-MSno
ProkaryotaMycobacterium Aviumsheep blood agarSPME/GC-MSno
ProkaryotaMycobacterium Bovissheep blood agarSPME/GC-MSno
ProkaryotaMycobacterium Abscessussheep blood agarSPME/GC-MSno
ProkaryotaStigmatella AurantiacaLoewenstein-Jensen/Glycerol, sheep blood agar and BacT/Alerts MPSolid phase micro-extraction (SPME), GC/MS-MSno
ProkaryotaMycobacterium TuberculosisLoewenstein-Jensen/Glycerol, sheep blood agar and BacT/Alerts MPSolid phase micro-extraction (SPME), GC/MS-MSno


1,3,5-trichloro-2-methoxybenzene

Mass-Spectra

Compound Details

Synonymous names
2,4,6-TRICHLOROANISOLE
87-40-1
1,3,5-Trichloro-2-methoxybenzene
Tyrene
2,4,6-Trichloro-1-methoxybenzene
TRICHLOROANISOLE
Benzene, 1,3,5-trichloro-2-methoxy-
Methyl 2,4,6-trichlorophenyl ether
Anisole, 2,4,6-trichloro-
2,4.6-Trichloroanisole
1,3,5-trichloro-2-methoxy-benzene
MFCD00000588
NSC-35142
31O3X41254
UNII-31O3X41254
EINECS 201-743-5
NSC 35142
2,6-Trichloroanisole
AI3-09173
Anisole,4,6-trichloro-
2,4,6-Trichloro-Anisole
SCHEMBL54507
1,5-Trichloro-2-methoxybenzene
DTXSID9073886
CHEBI:19333
2,4,6-Trichloroanisole, 99%
Methyl 2,6-trichlorophenyl ether
Benzene,3,5-trichloro-2-methoxy-
NSC35142
AKOS015849927
Anisole, 2,4,6-trichloro- (8CI)
2,4,6-TRICHLOROANISOLE [MI]
1,3,5-Trichloro-2-methoxybenzene, 9CI
AS-60959
SY051443
1-METHOXY-2,4,6-TRICHLOROBENZENE
DB-057000
CS-0150571
NS00008077
T0867
Benzene, 1,3,5-trichloro-2-methoxy- (9CI)
F20912
Q209191
2,4,6-Trichloroanisole 10 microg/mL in Isooctane
2,4,6-Trichloroanisole 100 microg/mL in Methanol
2,4,6-Trichloroanisole 1000 microg/mL in Methanol
2,4,6-Trichloroanisole, PESTANAL(R), analytical standard
InChI=1/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H
Microorganism:

Yes

IUPAC name1,3,5-trichloro-2-methoxybenzene
SMILESCOC1=C(C=C(C=C1Cl)Cl)Cl
InchiInChI=1S/C7H5Cl3O/c1-11-7-5(9)2-4(8)3-6(7)10/h2-3H,1H3
FormulaC7H5Cl3O
PubChem ID6884
Molweight211.5
LogP4
Atoms11
Bonds1
H-bond Acceptor1
H-bond Donor0
Chemical Classificationalkenes benzenoids ethers halogenated compounds
CHEBI-ID19333
Supernatural-IDSN0406867

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaStreptomyces Ciscaucasicuspotentially involved in antifungal activityNACordovez et al. 2015
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaStreptomyces CiscaucasicusGA-mediumSPME/GC-MS no


(3,4-dimethoxyphenyl)methanol

Mass-Spectra

Compound Details

Synonymous names
3,4-Dimethoxybenzyl alcohol
93-03-8
(3,4-Dimethoxyphenyl)methanol
VERATRYL ALCOHOL
Benzenemethanol, 3,4-dimethoxy-
3,4-Dimethoxyphenylmethyl alcohol
veratrole alcohol
3,4-dimethoxybenzenemethanol
MFCD00004638
dimethoxybenzyl alcohol
NSC 6317
3,4-dimethoxy-benzyl alcohol
MB4T4A711H
NSC-6317
3,4-Dimethoxybenzylalcohol
UNII-MB4T4A711H
VOH
EINECS 202-212-0
VERATRALCOHOL
AI3-24181
3,4dimethoxybenzyl alcohol
bmse010029
3,4-Dimethoxybenzyl alcohol (Veratryl alcohol)
Benzenemethanol,4-dimethoxy-
SCHEMBL119395
3,4-Diamethoxybenzyl Methanol
VERATRYL ALCOHOL [INCI]
(3,4-dimethoxyphenyl)-methanol
DTXSID1059076
CHEBI:62150
NSC6317
(3,4-Dimethoxyphenyl)methanol #
[3,4-bis(methyloxy)phenyl]methanol
3,4-Dimethoxybenzyl alcohol, 96%
BBL027469
s3213
STL373549
DIMETHOXYBENZYL ALCOHOL [INCI]
AKOS000119346
AM81461
MCULE-1479539782
SY001541
DB-057359
HY-107858
CS-0030741
NS00039520
V0020
EN300-20192
A25060
C21420
(3,4-Dimethoxyphenyl)methanol, Veratryl alcohol
Q410698
J-511214
Q27160083
F0001-2235
VERAPAMIL HYDROCHLORIDE IMPURITY E [EP IMPURITY]
Z104477212
3,4-dimethoxy-benzenemethano;3,4-dimethoxy-Benzenemethanol;(3,4-Dimethoxyphenyl)methanol
Microorganism:

No

IUPAC name(3,4-dimethoxyphenyl)methanol
SMILESCOC1=C(C=C(C=C1)CO)OC
InchiInChI=1S/C9H12O3/c1-11-8-4-3-7(6-10)5-9(8)12-2/h3-5,10H,6H2,1-2H3
FormulaC9H12O3
PubChem ID7118
Molweight168.19
LogP0.6
Atoms12
Bonds3
H-bond Acceptor3
H-bond Donor1
Chemical Classificationaromatic compounds aromatic alcohols alcohols benzenoids ethers
CHEBI-ID62150
Supernatural-IDSN0263079

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaBjerkandera Adustan/aNALapadatescu et al. 2000
EukaryotaBjerkandera AdustaNASpinnler at al. 1994
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaBjerkandera AdustaMinimal media plus glucose and L-phenylalanineExtraction with dichloromethane or with ethyl acetate, concentration under N2 stream /GC-MS.no
EukaryotaBjerkandera Adustano


3,4-dimethoxybenzoic Acid

Mass-Spectra

Compound Details

Synonymous names
3,4-Dimethoxybenzoic acid
VERATRIC ACID
93-07-2
Benzoic acid, 3,4-dimethoxy-
Dimethylprotocatechuic acid
Veratrumenoic acid
Veratrylic acid
3,4-Dimethylprotocatechuic acid
3,4-Dimethoxy-benzoic acid
MFCD00002500
3,4-Dimethoxybenzoic acid (Veratric acid)
NSC 7721
CHEBI:296881
1YY04E7RR4
CHEMBL118903
NSC-7721
3,?4-?Dimethoxybenzoic Acid (Veratric Acid)
EINECS 202-215-7
BRN 0518285
UNII-1YY04E7RR4
3,4-Dimethoxybenzoic Acid; Mebeverine Hydrochloride Imp. D (Pharmeuropa); Veratric Acid; Mebeverine Hydrochloride Impurity D; Mebeverine Impurity D
Spectrum_000512
Spectrum2_001082
Spectrum3_001774
Spectrum4_001582
Spectrum5_000264
3,4-Dimethoxyenzioc acid
3,4 dimethoxybenzoic acid
3,4-dimethoxybenzoic-acid
3,4dimethoxy benzoic acid
bmse010207
Epitope ID:119695
EC 202-215-7
VERATRIC ACID [MI]
3,4-Dimethoxy benzoic acid
BSPBio_003267
KBioGR_002164
KBioSS_000992
SPECTRUM212140
VERATRIC ACID [INCI]
MLS002207141
SCHEMBL114848
SPBio_001124
METHYL2-BENZYLOXYBENZOATE
3,4-bis(methyloxy)benzoic acid
DTXSID6059077
KBio2_000992
KBio2_003560
KBio2_006128
KBio3_002768
NSC7721
Protocatechuic Acid Dimethyl Ether
AMY40073
HY-N2007
BBL025942
BDBM50336487
CCG-39276
STK397279
3,4-Dimethoxybenzoic acid, >=99%
AKOS000119433
BS-3989
MCULE-2108800864
SDCCGMLS-0066972.P001
NCGC00095539-01
NCGC00095539-02
AC-10246
SMR000112092
SY010549
CS-0018327
D0631
NS00004303
EN300-20508
D71090
Q425928
SR-05000002417
SR-05000002417-1
W-100257
BRD-K14520048-001-02-6
BRD-K14520048-001-04-2
F2191-0107
MEBEVERINE HYDROCHLORIDE IMPURITY D [EP IMPURITY]
Z104478452
InChI=1/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11
TWO
Microorganism:

No

IUPAC name3,4-dimethoxybenzoic acid
SMILESCOC1=C(C=C(C=C1)C(=O)O)OC
InchiInChI=1S/C9H10O4/c1-12-7-4-3-6(9(10)11)5-8(7)13-2/h3-5H,1-2H3,(H,10,11)
FormulaC9H10O4
PubChem ID7121
Molweight182.17
LogP1.6
Atoms13
Bonds3
H-bond Acceptor4
H-bond Donor1
Chemical Classificationacids aromatic compounds carboxylic acids ethers benzenoids organic acids
CHEBI-ID296881
Supernatural-IDSN0060771

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSparassis CrispanaKoreaKim et al. 2008
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSparassis CrispanaHPLCyes


1,2-dimethoxy-4-prop-2-enylbenzene

Mass-Spectra

Compound Details

Synonymous names
Methyl eugenol
METHYLEUGENOL
93-15-2
4-Allyl-1,2-dimethoxybenzene
Eugenol methyl ether
4-Allylveratrole
O-Methyleugenol
Eugenyl methyl ether
Methyl eugenol ether
Veratrole methyl ether
Methyl eugenyl ether
1,2-Dimethoxy-4-(2-propenyl)benzene
Benzene, 1,2-dimethoxy-4-(2-propenyl)-
1-Allyl-3,4-dimethoxybenzene
3,4-Dimethoxyallylbenzene
1,2-dimethoxy-4-prop-2-enylbenzene
Benzene, 4-allyl-1,2-dimethoxy-
1,3,4-Eugenol methyl ether
1,2-Dimethoxy-4-allylbenzene
1-(3,4-Dimethoxyphenyl)-2-propene
3-(3,4-dimethoxyphenyl)-1-propene
ENT 21040
FEMA No. 2475
4-allyl-1,2-dimethoxy-benzene
Eugenol methyl
NSC 209528
4-Allyl-1,2-dimethyoxybenzene
1,2-Dimethoxy-4-(2-propen-1-yl)benzene
1,2-dimethoxy-4-(prop-2-en-1-yl)benzene
MFCD00008652
29T9VA6R7M
CHEBI:4918
DTXSID5025607
Benzene, 1,2-dimethoxy-4-(2-propen-1-yl)-
NSC-8900
NSC-209528
Benzene, 4-(2-propenyl)-1,2-dimethoxy
1,4-Eugenol methyl ether
O-Methyl eugenol
DTXCID505607
WLN: 1U2R CO1 DO1
TRIDEUTEROMETHYL EUGENOL
Allylveratrol
Caswell No. 579AB
FEMA Number 2475
Benzene,2-dimethoxy-4-(2-propenyl)-
CAS-93-15-2
SMR000112378
CCRIS 746
HSDB 4504
o-Methyl eugenol ether
EINECS 202-223-0
EPA Pesticide Chemical Code 203900
BRN 1910871
UNII-29T9VA6R7M
AI3-21040
Methyleugenol,(S)
methyl ester eugenol
Eugenol-methyl ether
METHYLCHAVIBETOL
METHYLEUGENOL [MI]
EC 202-223-0
Allyl-1,2-dimethoxybenzene
METHYLEUGENOL [HSDB]
METHYLEUGENOL [IARC]
METHYL EUGENOL [FCC]
VERATROLE, 4-ALLYL-
MLS001065600
MLS001333205
MLS001333206
CHAVIBETOL METHYL ETHER
METHYL EUGENOL [INCI]
SCHEMBL113794
CHEMBL108861
1,2-Dimethoxy-4-allyl benzene
4-Allyl-1, 2-dimethoxybenzene
SCHEMBL10108224
FEMA 2475
Methyl eugenol, >=98%, FCC
NSC8900
HMS2269M09
HMS3886M22
Methyl eugenol, analytical standard
EUGENYL METHYL ETHER [FHFI]
HY-N6996
Tox21_202347
Tox21_300071
BBL027720
BDBM50379791
ENT-21040
NSC209528
STK801819
4-Allyl-1,2-dimethoxybenzene, 99%
AKOS015838877
1-(3, 4-Dimethoxyphenyl)-2-propene
CS-W017325
Dimethoxy-4-(prop-2-en-1-yl)benzene
1, 2-Dimethoxy-4-(2-propenyl)benzene
NCGC00091474-01
NCGC00091474-02
NCGC00091474-03
NCGC00091474-04
NCGC00254085-01
NCGC00259896-01
AC-34351
AS-14807
DB-002806
D1360
NS00009255
S5755
E80630
EN300-698375
Q419829
W-100251
Z1255398904
METHYLEUGENOL (CONSTITUENT OF HOLY BASIL LEAF) [DSC]
Microorganism:

No

IUPAC name1,2-dimethoxy-4-prop-2-enylbenzene
SMILESCOC1=C(C=C(C=C1)CC=C)OC
InchiInChI=1S/C11H14O2/c1-4-5-9-6-7-10(12-2)11(8-9)13-3/h4,6-8H,1,5H2,2-3H3
FormulaC11H14O2
PubChem ID7127
Molweight178.23
LogP2.5
Atoms13
Bonds4
H-bond Acceptor2
H-bond Donor0
Chemical Classificationphenylpropenes benzenoids ethers aromatic compounds terpenes
CHEBI-ID4918
Supernatural-IDSN0483473

mVOC Specific Details

Boiling Point
DegreeReference
254.7 °C peer reviewed
Volatilization
The Henry's Law constant for methyleugenol is estimated as 5.6X10-6 atm-cu m/mole(SRC) derived from its extrapolated vapor pressure, 0.012 mm Hg(1), and water solubility, 500 mg/L(2). This Henry's Law constant indicates that methyleugenol is expected to volatilize from water surfaces(3). 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)(3) is estimated as 9 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)(3) is estimated as 69 days(SRC). Methyleugenol's estimated Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Methyleugenol is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Literature: (1) Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical Data; NY,NY: McGraw-Hill 6th ed (1984) (2) Chemicals Inspection and Testing Institute; Biodegradation and Bioaccumulation Data of Existing Chemicals Based on the CSCL Japan. Japan Chemical Industry Ecology - Toxicology and Information Center ISBN 4-89074-101-1 (1992) (3) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990)
Literature: #Methyleugenol dissipates rapidly from both soil and water(1). At 32 deg C, 98% of methyleugenol was lost within 96 hours; 77 and 81% were lost from water and soil, respectively, after 96 hours at 22 deg C(1). These values correspond to a half-life of 6 hours in soil and water at 32 deg C, and half-lives of 16 and 34 hours in soil and water, respectively, at 22 deg C(1).
Literature: (1) Shaver TN, Bull DL; Bull Environ Contam Toxicol 24: 619-26 (1980)
Soil Adsorption
The Koc of methyleugenol is estimated as 140(SRC), using a water solubility of 500 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that methyleugenol is expected to have high mobility in soil. However, the compound was immobile in silty loam, Lufkin fine sandy loam, Houston clay, and Brazos river bottom sand using soil thin layer chromatography(4).
Literature: (1) Chemicals Inspection and Testing Institute; Biodegradation and Bioaccumulation Data of Existing Chemicals Based on the CSCL Japan. Japan Chemical Industry Ecology - Toxicology and Information Center. ISBN 4-89074-101-1 (1992) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington, DC: Amer Chem Soc pp. 4-5 (1990) (3) Swann RL et al; Res Rev 85: 17-28 (1983) (4) Shaver TN; Arch Environ Contam Toxicol 13: 335-40 (1984)
Vapor Pressure
PressureReference
0.012 mm Hg at 25 deg C (extrapolated)Perry RH, Green D; Perry's Chemical Handbook. Physical and Chemical data. NY, NY: McGraw-Hill 6th ed (1984)
MS-Links
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaTuber Melanosporumn/aAgricultural Centre of Castilla and León Community (Monasterio de la Santa Espina, Valladolid, Spain) and Navaleno (Soria, Spain).Diaz et al. 2003
EukaryotaAntrodia CinnamomeananaLu et al. 2014
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaTuber Melanosporumn/an/ano
EukaryotaAntrodia CinnamomeaPDAGC/MSyes


2-methoxy-4-methylphenol

Mass-Spectra

Compound Details

Synonymous names
2-METHOXY-4-METHYLPHENOL
93-51-6
Creosol
4-Methylguaiacol
2-Methoxy-p-cresol
4-Methyl guaiacol
Phenol, 2-methoxy-4-methyl-
p-Methylguaiacol
p-Creosol
Homoguaiacol
2-Methoxy-4-cresol
4-Hydroxy-3-methoxytoluene
p-Cresol, 2-methoxy-
4-Methyl-2-methoxyphenol
2-methoxy-4-methyl-phenol
3-Methoxy-4-hydroxytoluene
Rohkcrsol
Kreosol
Cresolum drudum
4-Hydroxy-3-methoxy-1-methylbenzene
Valspice
Homocatechol monomethyl ether
1-Hydroxy-2-methoxy-4-methylbenzene
FEMA No. 2671
2-Hydroxy-5-methylanisole
NSC 4969
MFCD00002378
W9GW1KZG6N
2-methoxy-4-methyl phenol
Phenol, 4-methyl-2-methoxy
DTXSID6047105
CHEBI:89886
2-Methoxy-4-Methylphenol--d3,OD
NSC-4969
Kreosol [German]
EINECS 202-252-9
UNII-W9GW1KZG6N
BRN 1862340
2-2-Methoxy-4-methylphenol
P-Methylguaicol
AI3-15891
Homocatechol methyl ester
CREOSOL [MI]
2-Methoxy-4-methylphenol (Methyl guaiacol)
3-Methoxy-4-methyl-Phenol
SCHEMBL92236
2-METHOXY-P- CRESOL
2-?Methoxy-?4-?methylphenol
CHEMBL3182715
DTXCID4027105
2-Methoxy-4-methylphenol, 9CI
FEMA 2671
NSC4969
BCP19090
2-Methoxy-4-methylphenol (creosol)
Tox21_302681
2-Methoxy-4-methylphenol, >=98%
AKOS000120520
CS-W021711
HY-W040971
MCULE-1126785638
CAS-93-51-6
2-METHOXY-4-METHYLPHENOL [FHFI]
NCGC00256731-01
2-Methoxy-4-methylphenol, >=98%, FG
AS-15967
SY036778
2-Methoxy-4-methylphenol (4-methylguaiacol)
4-Methyl-2-methoxyphenol (4-methylguaiacol)
M0114
NS00012823
2-Methoxy-4-methylphenol, analytical standard
EN300-18155
2-Methoxy-4-methylphenol, natural, 97%, FG
D70655
Q403037
Q-100894
Z57234300
F0001-2237
InChI=1/C8H10O2/c1-6-3-4-7(9)8(5-6)10-2/h3-5,9H,1-2H
Microorganism:

Yes

IUPAC name2-methoxy-4-methylphenol
SMILESCC1=CC(=C(C=C1)O)OC
InchiInChI=1S/C8H10O2/c1-6-3-4-7(9)8(5-6)10-2/h3-5,9H,1-2H3
FormulaC8H10O2
PubChem ID7144
Molweight138.16
LogP1.3
Atoms10
Bonds1
H-bond Acceptor2
H-bond Donor1
Chemical Classificationbenzenoids ethers phenols aromatic compounds
CHEBI-ID89886
Supernatural-IDSN0283439

Species emitting the compound
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaSerratia Proteamaculansn/an/ano
ProkaryotaCarnobacterium Divergensn/an/ano
ProkaryotaPseudomonas Fragin/an/ano
ProkaryotaLentilactobacillus Buchnerimaize silageHS-SPME coupled with GC-TOF MSno
ProkaryotaLacticaseibacillus Paracaseimaize silageHS-SPME coupled with GC-TOF MSno