Results for:
PubChem ID: 7040

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