Results for:
chemical Classification: isocyanates

2-isocyanatopropane

Mass-Spectra

Compound Details

Synonymous names
Isopropyl isocyanate
2-Isocyanatopropane
1795-48-8
Propane, 2-isocyanato-
Isocyanic Acid Isopropyl Ester
2-isocyanato-propane
iso-propyl isocyanate
ISOPROPYLISOCYANATE
Isocyanic acid, isopropyl ester
isopropylisocynate
isoproylisocyanate
2-propylisocyanate
isoproyl isocyanate
i-propyl isocyanate
2-propyl isocyanate
EINECS 217-276-5
iso-propyl-isocyanat
i-PrNCO
2- isocyanatopropane
2-isocyanato propane
UN2483
iso-propyl-isocyanate
1-methylethylisocyanate
methyl ethyl isocyanate
1-methylethyl isocyanate
AI3-28282
(1-methylethyl)isocyanate
(1-methylethyl) isocyanate
(CH3)2CHNCO
2-Isocyanatopropane, 95%
Isopropyl isocyanate, >=98%
K7N2Z27VQ9
DTXSID3061976
BCP15287
BBL037676
MFCD00002037
STK502579
AKOS000191573
AB00193
MCULE-8392299675
UN 2483
DB-044370
I0110
NS00025913
EN300-31876
E80393
A812458
Isopropyl isocyanate [UN2483] [Flammable liquid]
InChI=1/C4H7NO/c1-4(2)5-3-6/h4H,1-2H
Q26840874
F2190-0556
Microorganism:

No

IUPAC name2-isocyanatopropane
SMILESCC(C)N=C=O
InchiInChI=1S/C4H7NO/c1-4(2)5-3-6/h4H,1-2H3
FormulaC4H7NO
PubChem ID61277
Molweight85.1
LogP1.8
Atoms6
Bonds1
H-bond Acceptor2
H-bond Donor0
Chemical Classificationisocyanates nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaXylaria Sp.naHaematoxylon brasiletto, Morelos, MexicoSánchez-Ortiz et al. 2016
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaXylaria Sp.PDA mediumSPME-GC/MSyes


1,6-diisocyanatohexane

Mass-Spectra

Compound Details

Synonymous names
1,6-Diisocyanatohexane
HEXAMETHYLENE DIISOCYANATE
822-06-0
1,6-Hexamethylene diisocyanate
Hexane 1,6-diisocyanate
Hexane, 1,6-diisocyanato-
1,6-Hexylene diisocyanate
Hexamethylene-1,6-diisocyanate
hexamethylenediisocyanate
1,6-Hexanediol diisocyanate
Isocyanic acid, hexamethylene ester
TL 78
HDI
Szesciometylenodwuizocyjanian
Metyleno-bis-fenyloizocyjanian
NSC 11687
CHEBI:53578
Hexamethylene diisocyanate, 1,6-
Isocyanic acid, diester with 1,6-hexanediol
1,6-diisocyanato-hexane
MFCD00002047
0I70A3I1UF
Hexamethylene 1,6-diisocyanate
DTXSID4024143
NSC-11687
Hexamethylene-1,6-diisocyanate [Diisocyanates]
DTXCID004143
1,6-hexane diisocyanate
53895-37-7
CAS-822-06-0
Hexamethylendiisokyanat [Czech]
Hexamethylendiisokyanat
HSDB 6134
EINECS 212-485-8
UN2281
hexamethylene di-isocyanate
HEXAMETHYLENE-1,6-DIISOCYANATE (DIISOCYANATES)
Szesciometylenodwuizocyjanian [Polish]
Metyleno-bis-fenyloizocyjanian [Polish]
BRN 0956709
UNII-0I70A3I1UF
AI3-28285
CCRIS 8431
Desmodur H
Hexane,6-diisocyanato-
1,6-diisocyanato hexane
WLN: OCN6NCO
Epitope ID:115018
EC 212-485-8
Isocyanic acid,6-hexanediol
SCHEMBL15038
1,6-diisocyanatohexamethylene
OCN-(CH2)6-NCO
1,6-hexamethylene-diisocyanate
1,6-Diisocyanatohexane, 98%
GTPL6291
1,6-hexamethylene di-isocyanate
CHEMBL1896533
HEXANE,1,6-DIISOCYANATE
NSC11687
Tox21_202206
Tox21_300161
STL301890
AKOS000120355
MCULE-6968884658
HEXAMETHYLENE DIISOCYANATE [HSDB]
NCGC00164175-01
NCGC00164175-02
NCGC00164175-03
NCGC00254122-01
NCGC00259755-01
PD051392
S 90
S-90
DB-225988
H0324
NS00008899
1,6-HEXAMETHYLENE DIISOCYANATE [INCI]
EN300-20358
Hexamethylene diisocyanate [UN2281] [Poison]
A840272
Q418197
Hexamethylene diisocyanate, purum, >=98.0% (GC)
W-104184
Hexamethylene diisocyanate, puriss., >=99.0% (GC)
InChI=1/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H
Microorganism:

Yes

IUPAC name1,6-diisocyanatohexane
SMILESC(CCCN=C=O)CCN=C=O
InchiInChI=1S/C8H12N2O2/c11-7-9-5-3-1-2-4-6-10-8-12/h1-6H2
FormulaC8H12N2O2
PubChem ID13192
Molweight168.19
LogP3.2
Atoms12
Bonds7
H-bond Acceptor4
H-bond Donor0
Chemical Classificationisocyanates nitrogen compounds
CHEBI-ID53578

mVOC Specific Details

Boiling Point
DegreeReference
213 °C peer reviewed
Volatilization
Hexamethylene diisocyanate reacts readily with water to form amines and polyureas(1-3); therefore, volatilization of monomeric hexamethylene diisocyanate from water and moist soil surfaces is not expected to be an important environmental fate process(SRC). Hexamethylene diisocyanate is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.05 mm Hg at 25 deg C(4).
Literature: (1) Hulse PM; An Evaluation of HDI in Polyurethane Spray Paint Aerosols. NTIS# AD-A151 606 (1984) (2) USEPA; Health Hazard Profile on 4,4'-Methylenediphenyl Isocyanate. USEPA Contract No. 68-03-3112 Cincinnati OH: USEPA, ECAO (1984) (3) Ulrich H; Kirk-Othmer Encyclopedia of Chemical Technology. (1999-2012). New York, NY: John Wiley & Sons; Urethane Polymers. Online Posting Date: 16 June 2006. (4) NIOSH. NIOSH Pocket Guide to Chemical Hazards. Department of Health & Human Services, Centers for Disease Prevention & Control. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2010-168 (2010). Available from, as of Feb 29, 2012: http://www.cdc.gov/niosh/npg/
Soil Adsorption
Hexamethylene diisocyanate reacts readily with water to form amines and polyureas(1-3); therefore, adsorption of monomeric hexamethylene diisocyanate in soil is not expected to be an important environmental fate process(SRC).
Literature: (1) Hulse PM; An Evaluation of HDI in Polyurethane Spray Paint Aerosols. NTIS# AD-A151 606 (1984) (2) USEPA; Health Hazard Profile on 4,4'-Methylenediphenyl Isocyanate. USEPA Contract No. 68-03-3112 Cincinnati OH: USEPA, ECAO (1984) (3) Ulrich H; Kirk-Othmer Encyclopedia of Chemical Technology. (1999-2012). New York, NY: John Wiley & Sons; Urethane Polymers. Online Posting Date: 16 June 2006
Vapor Pressure
PressureReference
0.05 mm Hg at 25 deg C (77 deg F)NIOSH. NIOSH Pocket Guide to Chemical Hazards. Department of Health & Human Services, Centers for Disease Prevention & Control. National Institute for Occupational Safety & Health. DHHS (NIOSH) Publication No. 2010-168 (2010). Available from, as of Feb 21, 2012: http://www.cdc.gov/niosh/npg/

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


1-isocyanatobutane

Compound Details

Synonymous names
Butyl isocyanate
1-Isocyanatobutane
111-36-4
N-BUTYL ISOCYANATE
Butane, 1-isocyanato-
Isocyanic Acid Butyl Ester
1-Butyl isocyanate
Isocyanic acid, butyl ester
BIC
1-Isocyanato-butane
CHEBI:136519
butylisocyanate
XM89T89J3W
DTXSID6026872
n-butylisocyanate
25067-04-3
Butyl isocyanate, n-
HSDB 5548
EINECS 203-862-8
UN2485
UNII-XM89T89J3W
butyl isocynate
1-Butylisocyanate
n-butyl-isocyanate
n-butyliso-cyanate
Butyl isocyanate, 98%
n-C4H9NCO
Epitope ID:122969
EC 203-862-8
Isocyanic acid n-butyl ester
BUTYL ISOCYANATE [MI]
CHEMBL27104
DTXCID106872
N-BUTYL ISOCYANATE [HSDB]
Tox21_200437
BBL027371
MFCD00002046
STL308735
AKOS000120793
GS-3292
MCULE-3381327717
UN 2485
NCGC00248614-01
NCGC00257991-01
CAS-111-36-4
n-Butyl isocyanate [UN2485] [Poison]
DB-040967
I0118
NS00007113
EN300-20857
J-519964
Q15632798
Microorganism:

Yes

IUPAC name1-isocyanatobutane
SMILESCCCCN=C=O
InchiInChI=1S/C5H9NO/c1-2-3-4-6-5-7/h2-4H2,1H3
FormulaC5H9NO
PubChem ID8110
Molweight99.13
LogP2.3
Atoms7
Bonds3
H-bond Acceptor2
H-bond Donor0
Chemical Classificationisocyanates nitrogen compounds
CHEBI-ID136519

mVOC Specific Details

Boiling Point
DegreeReference
115 °C peer reviewed
Volatilization
Isocyanates undergo rapid hydrolysis under environmental conditions with half-lives of less than 10 minutes(1). Therefore, hydrolysis is expected to be the dominant fate process for n-butyl isocyanate in moist soil and water(SRC). Volatilization from moist soil and water surfaces is not expected to compete with hydrolysis as an important removal process(SRC). n-Butyl isocyanate is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 17.6 mm Hg at 25 °C(2).
Soil Adsorption
Isocyanates undergo rapid hydrolysis under environmental conditions with half-lives of less than 10 minutes(1). Therefore, hydrolysis is expected to be the dominant fate process for n-butyl isocyanate in moist soil and water(SRC). Adsorption to soil and sediment is not expected to compete with hydrolysis as an important environmental process(SRC).

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno


2-isocyanatoethylbenzene

Compound Details

Synonymous names
Phenethyl isocyanate
1943-82-4
(2-Isocyanatoethyl)benzene
Phenylethyl isocyanate
2-Phenylethyl Isocyanate
2-Phenylethylisocyanate
2-isocyanatoethylbenzene
Phenylethylisocyanate
Benzene, (2-isocyanatoethyl)-
CHEBI:60067
W78MJV7AIA
(2-Isocyanato-ethyl)-benzene
MFCD00037044
2-PHENETHYL ISOCYANATE
Isocyanic Acid Phenethyl Ester
Isocyanic Acid 2-Phenylethyl Ester
phenylethyl-isocyanat
phenylethyl-isocyanate
phenyl ethyl isocyanate
2-phenylethyl-isocyanate
UNII-W78MJV7AIA
ss--Phenylethyl isocyanate
2-isocyanato-ethyl-benzene
Epitope ID:140103
(2-phenyl)ethyl isocyanate
EC 413-080-0
Phenethyl isocyanate, 98%
SCHEMBL5918
.beta.-Phenylethyl isocyanate
CHEMBL2074871
DTXSID10173052
AMY37072
BDBM50073656
STK504606
AKOS003384170
ISOCYANIC ACID, PHENETHYL ESTER
MCULE-5298777161
DB-021500
NS00008638
P1677
D92144
EN300-270963
J-500826
Q27127052
F2160-0015
Microorganism:

Yes

IUPAC name2-isocyanatoethylbenzene
SMILESC1=CC=C(C=C1)CCN=C=O
InchiInChI=1S/C9H9NO/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2
FormulaC9H9NO
PubChem ID160602
Molweight147.17
LogP2.9
Atoms11
Bonds3
H-bond Acceptor2
H-bond Donor0
Chemical Classificationaromatic compounds isocyanates benzenoids nitrogen compounds
CHEBI-ID60067

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaCoraliitalea Coraliiisolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaCoraliitalea Coraliimarine broth agarOSSA/GC-MSno


1,3-diisocyanato-2-methylbenzene

Compound Details

Synonymous names
2,6-Diisocyanatotoluene
91-08-7
Toluene-2,6-diisocyanate
2,6-TOLUENE DIISOCYANATE
2-Methyl-m-phenylene diisocyanate
1,3-Diisocyanato-2-methylbenzene
2,6-TDI
Toluene 2,6-diisocyanate
m-Tolylene diisocyanate
Benzene, 1,3-diisocyanato-2-methyl-
meta-Tolylene diisocyanate
2,6-Diisocyanato-1-methylbenzene
2-Methyl-meta-phenylene isocyanate
Tolylene 2,6-diisocyanate
Tolylene-2,6-diisocyanate
Isocyanic acid, 2-methyl-meta-phenylene ester
1,3-diisocyanato-2-methyl-benzene
Benzene, 2,6-diisocyanato-1-methyl-
CHEBI:53557
Isocyanic acid, 2-methyl-m-phenylene ester
DTXSID2026157
78243HXH5O
CCRIS 3741
HSDB 5272
2,6-toluenediisocyanate
EINECS 202-039-0
BRN 2211546
UNII-78243HXH5O
Hylene TRF (Salt/Mix)
2,6-Tolylene diisocyanate
Epitope ID:120367
Cosmonate TDI (Salt/Mix)
SCHEMBL15092
4-13-00-00259 (Beilstein Handbook Reference)
2-methyl-meta-phenylene ester
2,6-TDI, analytical standard
DTXCID106157
2-Methyl-m-phenylene isocyanate
1,3-Diisocyanato-2-methylbenzene [Toluenediisocyanates]
CHEMBL1443390
Niax isocyanate TDI (Salt/Mix)
Tolylene-2,6-diisocyanate, 97%
2-Methyl-meta-phenylene diisocyanate
Tox21_201661
1,3-Diisocyanato-2-methylbenzene #
GEO-02330
MFCD00002010
AKOS015842352
CAS-91-08-7
NCGC00091052-01
NCGC00091052-02
NCGC00091052-03
NCGC00259210-01
NS00008174
T1153
D92456
Q1688256
W-200524
Microorganism:

Yes

IUPAC name1,3-diisocyanato-2-methylbenzene
SMILESCC1=C(C=CC=C1N=C=O)N=C=O
InchiInChI=1S/C9H6N2O2/c1-7-8(10-5-12)3-2-4-9(7)11-6-13/h2-4H,1H3
FormulaC9H6N2O2
PubChem ID7040
Molweight174.16
LogP3.9
Atoms13
Bonds2
H-bond Acceptor4
H-bond Donor0
Chemical Classificationbenzenoids isocyanates nitrogen compounds
CHEBI-ID53557

mVOC Specific Details

Boiling Point
DegreeReference
129 °C peer reviewed
Volatilization
The vapor pressure of 2,6-toluene diisocyanate is 0.02 mm Hg at 20 °C(1), suggesting that it will not readily volatilize from soil surfaces(SRC). 2,6-Toluene diisocyanate decomposes in water(2); therefore, volatilization from water is not expected to be important(SRC).
Soil Adsorption
2,6-Toluene diisocyanate reacts readily with water(1); therefore, leaching of 2,6-toluene diisocyanate in soil should not be important(SRC).
Vapor Pressure
PressureReference
0.5

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBacillus SubtilisvermicompostMu et al. 2017
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBacillus SubtilisGC–MSyes


Isocyanatoethane

Compound Details

Synonymous names
ETHYL ISOCYANATE
109-90-0
Isocyanatoethane
Ethane, isocyanato-
Isocyanic acid, ethyl ester
Isocyanic acid ethyl ester
isocyanato-ethane
ethylisocyanate
B02YQ4MIR0
NSC-89687
HSDB 6318
EINECS 203-717-9
NSC 89687
UN2481
UNII-B02YQ4MIR0
ethyisocyanate
ethy isocyanate
ethyl isocynate
ehtyl isocyanate
ethyl-isocyanate
AI3-28798
isocyanato ethane
EtNCO
1-Isocyanatoethane #
Ethyl isocyanate, 98%
C2H5NCO
WLN: OCN2
ISOCYANATOETHANE [HSDB]
DTXSID5059379
CHEBI:85107
NSC89687
MFCD00002042
STL183828
AKOS000202534
MCULE-6522145601
UN 2481
BP-12657
I0123
NS00023531
EN300-21141
Ethyl isocyanate [UN2481] [Flammable liquid]
InChI=1/C3H5NO/c1-2-4-3-5/h2H2,1H
Q18214960
F2190-0557
Microorganism:

Yes

IUPAC nameisocyanatoethane
SMILESCCN=C=O
InchiInChI=1S/C3H5NO/c1-2-4-3-5/h2H2,1H3
FormulaC3H5NO
PubChem ID8022
Molweight71.08
LogP1.4
Atoms5
Bonds1
H-bond Acceptor2
H-bond Donor0
Chemical Classificationisocyanates
CHEBI-ID85107

mVOC Specific Details

Boiling Point
DegreeReference
60 °C peer reviewed
Volatilization
Isocyanates undergo rapid hydrolysis under environmental conditions with half-lives of less than 10 minutes(1). Therefore, hydrolysis is expected to be the dominant fate process for ethyl isocyanate in moist soil and water(SRC). Volatilization from moist soil and water surfaces is not expected to compete with hydrolysis as an important removal process(SRC). Ethyl isocyanate may volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 200 mm Hg at 25 °C(SRC), determined using a structure estimation method(2).
Soil Adsorption
Isocyanates undergo rapid hydrolysis under environmental conditions with half-lives of less than 10 minutes(1). Therefore, hydrolysis is expected to be the dominant fate process for ethyl isocyanate in moist soil and water(SRC). Adsorption to soil and sediment is not expected to compete with hydrolysis as an important environmental process(SRC).

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaMycobacterium TuberculosisNANAKolk et al. 2012
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaMycobacterium Tuberculosis7H9 OADCTD/GC-MSno


Methylimino(oxo)methane

Compound Details

Synonymous names
METHYL ISOCYANATE
Isocyanatomethane
624-83-9
Methane, isocyanato-
Methyl carbonimide
methylisocyanate
Methylcarbylamine
Iso-cyanatomethane
Isocyanate de methyle
methylimino(oxo)methane
Methylisocyanaat
Isocyanic acid, methyl ester
Methyl isocyanat
Metil isocianato
(Methylimino)(oxo)methane
Methylisokyanat
Isocyanate, methyl-
RCRA waste number P064
NSC 64323
CCRIS 1385
TL 1450
UN 2480
CHEBI:59059
HSDB 1165
EINECS 210-866-3
MIC
UNII-C588JJ4BV9
MIC [Isocyanate]
BRN 0605318
C588JJ4BV9
DTXSID1023786
AI3-28280
CH3NCO
NSC-64323
DTXCID503786
4-04-00-00247 (Beilstein Handbook Reference)
MIC (Isocyanate)
Methylisokyanat [Czech]
Methylisocyanaat [Dutch]
Methyl isocyanat [German]
Metil isocianato [Italian]
Isocyanate de methyle [French]
MP-NCO
UN2480
RCRA waste no. P064
Methyl isocyanat [German]
Methyl isocynate
Methyl-isocyanate
MeNCO
methylimino-oxomethane
Me-NCO
ISOCYANATE METHANE
Epitope ID:122968
WLN: OCN1
ISOCIANATO DE METILO
methane, (methylimino)oxo-
METHYL CARBONYL AMINE
(Methylimino)(oxo)methane #
METHYL ISOCYANATE [MI]
GTPL6290
ISOCYANATE METHYL METHANE
methylimino(oxidanylidene)methane
CHEMBL1608558
METHYL ISOCYANATE [HSDB]
ALBB-007556
NSC64323
Tox21_201060
STK504617
AKOS005171723
DB12765
GS-3554
Methyl isocyanate [UN2480] [Poison]
NCGC00091082-01
NCGC00091082-02
NCGC00258613-01
CAS-624-83-9
InChI=1/C2H3NO/c1-3-2-4/h1H
NS00022542
A833804
Q410431
ScavengePore(TM) benzyl isocyanate, macroporous, 40-70 mesh, extent of labeling: 0.5-2.0 mmol/g loading
StratoSpheres(TM) PL-NCO (Isocyanate) resin, 150-300 mum, extent of labeling: >=1.5 mmol/g loading, 1 % cross-linked
Microorganism:

Yes

IUPAC namemethylimino(oxo)methane
SMILESCN=C=O
InchiInChI=1S/C2H3NO/c1-3-2-4/h1H3
FormulaC2H3NO
PubChem ID12228
Molweight57.05
LogP1.1
Atoms4
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationnitrogen compounds isocyanates
CHEBI-ID59059

mVOC Specific Details

Boiling Point
DegreeReference
39.5 °C peer reviewed
Volatilization
Since methyl isocyanate hydrolyzes rapidly in water(1), volatilization from moist soil or water surfaces is not expected to be an important process(SRC). Methyl isocyanate is expected to volatilize from dry soil surfaces(SRC) based upon an estimated vapor pressure of 348 mm Hg at 20 °C(2).
Soil Adsorption
Since methyl isocyanate hydrolyzes rapidly in water(1), adsorption to soil, sediment, and suspended solids are not expected to be an important process(SRC).
Vapor Pressure
PressureReference
348

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Meyerozyma GuilliermondiiXiong et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Meyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno


1,4-diisocyanatobutane

Compound Details

Synonymous names
1,4-Diisocyanatobutane
4538-37-8
Tetramethylene diisocyanate
1,4-Butanediisocyanate
MFCD00075559
NSC 510650
Butane, 1,4-diisocyanato-
NSC510650
1,4-diisocyanato-butane
1,4-Diisocyanatobutane #
SCHEMBL20391
CHEMBL1403480
DTXSID90325552
1,4-Diisocyanatobutane, 97.0%
GEO-03216
AKOS028111419
NSC-510650
NCGC00166001-01
BS-22672
SY104491
A7155
NS00124204
E78129
1,4-Diisocyanatobutane, technical, >=95.0% (GC)
J-803008
Microorganism:

Yes

IUPAC name1,4-diisocyanatobutane
SMILESC(CCN=C=O)CN=C=O
InchiInChI=1S/C6H8N2O2/c9-5-7-3-1-2-4-8-6-10/h1-4H2
FormulaC6H8N2O2
PubChem ID350453
Molweight140.14
LogP2.5
Atoms10
Bonds5
H-bond Acceptor4
H-bond Donor0
Chemical Classificationisocyanates nitrogen compounds

mVOC Specific Details


Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Meyerozyma GuilliermondiiXiong et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Meyerozyma GuilliermondiiYEPD, 10 g/L yeast extrac, 20 g/L peptone, 20 g dextroseGC-MS and GC-IMSno