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| IUPAC name : | 2,6-dimethylbenzenethiol |
| InChI : | InChI=1/C8H10S/c1-6-4-3-5-7(2)8(6)9/h3-5,9H,1-2H3 |
| InChIKey : | QCLJODDRBGKIRW-UHFFFAOYAG |
| SMILES : | CC1=C(C(=CC=C1)C)S |
| (EINECS) number : | 204-272-3 |
| cas number : | 118-72-9 |
| fema number : | 3666 |
| jecfa number : | 530 |
| fl. number : | 12.082 |
| molar refractivity : | 44.07 ± 0.3 cm3 |
| parachor : | 331.0 ± 4.0 cm3 |
| index of refraction : | 1.568 ± 0.02 |
| surface tension : | 36.6 ± 3.0 dyne/cm |
| density : | 1.027 ± 0.06 g/cm3 |
| polarizability : | 17.47 ± 0.5 10-24cm3 |
| xlogp : | 2.90 |
| molecular weight : | 138.2300000 |
| formula : | C8 H10 S |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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Suppliers :
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| Sigma-Aldrich-SAFC : | 2,6-Dimethylthiophenol |
| | ≥95%, Kosher |
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| Treatt : | 2,6-Dimethylthiophenol |
| Treatt USA : | 2,6-Dimethylthiophenol |
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organoleptics :
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| odor type : | sulfurous |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in propylene glycol. | sulfury meaty roasted phenolic metallic |
properties :
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| appearence : | colorless to yellow clear liquid |
| assay : | 95.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 1.04400 @ 20.00 °C.
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| refractive index : | 1.52700 - 1.52100 @ 20.00 °C.
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| boiling point : | 122.00 °C. @ 50.00 mm Hg
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| boiling point : | 218.00 - 219.00 °C. @ 760.00 mm Hg
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| logp : | 3.15 |
safety :
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| Oral Toxicity(LD50) : |
Not determined
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| Dermal Toxicity(LD50) : |
Not determined
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| flash point ( Deg. F. ) : | 186.00 °F. TCC ( 85.56 °C. )
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| recommendation for 2,6-dimethyl thiophenol usage levels up to : | | | not for fragrance use.
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safety links :
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| (EINECS) number : | 204-272-3 |
| chemidplus : | 000118729 |
| epa-srs : | 118-72-9 |
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other :
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references :
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| jecfa number : | 530 |
| fl. number : | 12.082 |
| pubchem : | 197281 |
| NIST Chemistry WebBook : | 760711023 |
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| synonyms : |
| 2,6- | dimethyl benzene thiol | | 2,6- | dimethyl phenyl thiol | | 2,6- | dimethyl thiophenol | | 2,6- | dimethyl(thiophenol) | | 2,6- | xylene thiol | | 2,6- | xylyl mercaptan |
| soluble in : |
| | fats | | | water, slightly |
| insoluble in : |
| | water |
| (odor and/or flavor) blends with : |
| | acetyl pyrroline |
| 2- | acetyl thiazole |
| 4- | acetyl-2-methyl pyrimidine |
| 5- | acetyl-2,3-dihydro-1,4-thiazine |
| 3- | acetyl-2,5-dimethyl furan |
| 3- | acetyl-2,5-dimethyl thiophene |
| 2- | acetyl-3-methyl pyrazine |
| 2- | acetyl-3,5-dimethyl pyrazine |
| 2- | acetyl-3,5(or 6)-dimethyl pyrazine |
| | allyl mercaptan |
| 4- | allyl-2,6-dimethoxyphenol |
| S- | allyl-laevo-cysteine |
| 4- | aminobutyric acid |
| | amyl mercaptan |
| | bacon dithiazine |
| | benzyl methyl sulfide |
| 1,2- | butane dithiol |
| 1,3- | butane dithiol |
| 2,3- | butane dithiol |
| 2- | butenoic acid |
| 2- | butyl-2-butenal |
| 2-iso | butyl-4,5-dimethyl oxazole |
| 2(4)-iso | butyl-4(2),6-dimethyl dihydro-4H-1,3,5-dithiazine |
| 2-(2- | butyl)-4,5-dimethyl-3-thiazoline |
| | butyraldehyde |
| | chocolate pyrazine A |
| | cocoa pyrazine |
| 3,6- | cocoa pyrazine |
| | coffee difuran |
| | cyclopropyl (E,Z)-2,6-nonadienamide |
| 2,5- | diethyl thiazole |
| 3,6- | diethyl-1,2,4,5-tetrathiane and 3,5-diethyl-1,2,4-trithiolane mixture |
| 3,5- | diethyl-2-methyl pyrazine |
| 2,5- | diethyl-3-methyl pyrazine |
| | difurfuryl sulfide |
| 6,7- | dihydro-2,3-dimethyl-5H-cyclopentapyrazine |
| 2,5- | dihydroxy-1,4-dithiane |
| 3,5- | diisobutyl-1,2,4-trithiolane |
| N-(2,4- | dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide |
| N-(2-(3,4- | dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amide |
| | dimethyl dihydrocyclopentapyrazine |
| 2,5- | dimethyl furan |
| 2,5- | dimethyl pyrazine |
| 2,6- | dimethyl pyrazine |
| | dimethyl tetrasulfide |
| 2,4- | dimethyl thiazole |
| 2,5- | dimethyl thiazole |
| 4,5- | dimethyl thiazole |
| | dimethyl trisulfide |
| 4,5- | dimethyl-2-ethyl-3-thiazoline |
| 4,5- | dimethyl-2-propyl oxazole |
| 3,7- | dimethyl-2,6-octadien-1-yl cyclopropyl carboxamide |
| 2,6- | dimethyl-3-((2-methyl-3-furyl)thio)-4-heptanone |
| 2,5- | dimethyl-3-furan thiol |
| bis(2,5- | dimethyl-3-furyl) disulfide |
| (Z+E)-2,5- | dimethyl-3-tetrahydrofuran thiol |
| (Z+E)-2,5- | dimethyl-3-thioacetoxytetrahydrofuran |
| 2,5- | dimethyl-3-thiofuroyl furan |
| 2,5- | dimethyl-3-thioisovaleryl furan |
| 2,5- | dimethyl-4-ethyl oxazole |
| 1,1- | ethane dithiol 1% in ethanol |
| 2- | ethoxythiazole |
| | ethyl (E,Z)-2,6-nonadienamide |
| S- | ethyl 2-acetyl aminoethane thioate |
| | ethyl 3-mercaptobutyrate |
| | ethyl 3-mercaptopropionate |
| | ethyl 4-(acetyl thio) butyrate |
| 2- | ethyl benzene thiol |
| 3-( | ethyl thio) butanol |
| S- | ethyl thioacetate |
| 5- | ethyl-2-methyl pyridine |
| (Z+E)-5- | ethyl-4-methyl-2-(2-butyl) thiazoline |
| (Z+E)-5- | ethyl-4-methyl-2-(2-methyl propyl) thiazoline |
| 2- | ethyl-6-methyl pyrazine |
| | fenugreek oleoresin |
| | fenugreek resinoid |
| | filbert heptenone |
| | fish thiol |
| | furfuryl isopropyl sulfide |
| | furfuryl mercaptan |
| | furfuryl methyl ether |
| 4- | furfuryl thio-2-pentanone |
| | furfuryl thioacetate |
| | gluconyl ethanolamine |
| | gluconyl ethanolamine phosphate |
| | hazelnut pyrazine |
| N-( | heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamide |
| 2- | heptyl furan |
| 1,6- | hexane dithiol |
| | hexyl mercaptan |
| | lactoyl ethanolamine |
| | lactoyl ethanolamine phosphate |
| | magnolia indene |
| | meaty dithiane |
| 3- | mercapto-2-pentanone |
| 4- | mercapto-2-pentanone 1% in acetoin |
| (R*,S*)-2- | mercapto-3-butanol |
| 3- | mercapto-3-methyl butanol |
| 3- | mercapto-3-methyl butyl formate |
| 2- | mercapto-3-pentanone |
| 2- | mercaptomethyl pyrazine |
| 2- | mercaptopropionic acid |
| 2- | methoxy-3-methyl pyrazine |
| N1-(2- | methoxy-4-methyl benzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide |
| N1-(2- | methoxy-4-methyl benzyl)-N2-2(2-(5-methyl pyridin-2-yl)ethyl) oxalamide |
| 2- | methoxy-4-vinyl phenol |
| | methyl 2-(methyl thio) acetate |
| | methyl 2-methyl-3-furyl disulfide |
| 2- | methyl 3-(methyl thio) furan 10% in triacetin |
| 4- | methyl 4-mercaptopentan-2-one 1% in pg |
| | methyl dihydrofuran thiol |
| | methyl ethoxypyrazine |
| | methyl isopentyl disulfide |
| 4- | methyl nonanoic acid |
| 2- | methyl pyrazine |
| 5- | methyl quinoxaline |
| 2- | methyl thiazolidine |
| 2-( | methyl thio) ethanol |
| (±)-3-( | methyl thio) heptanal |
| 3-( | methyl thio) methyl thiophene |
| 2-( | methyl thio) methyl-2-butenal |
| 12- | methyl tridecanal |
| 2- | methyl-1-butanol |
| 2- | methyl-1-methyl thio-2-butene |
| 3- | methyl-2-butane thiol |
| 2- | methyl-3-,5 or 6-(furfuryl thio) pyrazine |
| 2- | methyl-3-(methyl thio) pyrazine |
| 2- | methyl-3-furyl tetrasulfide |
| bis(2- | methyl-3-furyl) disulfide |
| S-(2- | methyl-3-furyl) ethane thioate |
| 3-((2- | methyl-3-furyl)thio)-4-heptanone |
| 4-((2- | methyl-3-furyl)thio)-5-nonanone |
| 2- | methyl-3-tetrahydrofuran thiol |
| 2- | methyl-3,(5 or 6)-ethoxypyrazine |
| 2- | naphthyl mercaptan |
| 1,9- | nonane dithiol |
| | nutty pyrazine |
| | nutty quinoxaline |
| | nutty thiazole |
| 1,8- | octane dithiol |
| | peanut dithiazine |
| 4- | penten-1-al |
| 1- | phenethyl mercaptan |
| 1- | phenyl-3(5)-propyl pyrazole |
| | popcorn pyrimidine |
| 1,3- | propane dithiol |
| 3-iso | propenyl pentane dioic acid |
| 2- | propionyl pyrrole |
| | propionyl pyrroline 1% in vegatable oil triglyceride |
| 2- | propionyl-2-thiazoline |
| | propyl 2-mercaptopropionate |
| | propyl 2-methyl-3-furyl disulfide |
| iso | propyl disulfide |
| iso | propyl mercaptan |
| | propyl propane thiosulfonate |
| | pyrazinyl ethane thiol |
| 2- | pyridinyl methane thiol |
| | pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine |
| | roasted butanol |
| | rum ether |
| | sulfuryl acetate |
| | sulfuryl butyrate |
| | sulfuryl decanoate |
| | sulfuryl formate |
| | sulfuryl hexanoate |
| | sulfuryl isobutyrate |
| | sulfuryl octanoate |
| | sulfuryl propionate |
| 3- | tetrahydrothiophenone |
| 2- | thienyl mercaptan |
| 3- | thienyl mercaptan |
| 1-(2- | thienyl) butanone |
| ortho- | thiocresol |
| | thioguaiacol |
| 2- | thiophene thiol |
| 2,3,5- | trimethyl pyrazine |
| 2,4,6- | trithiaheptane 10% in triacetin |
| (odor and/or flavor) used in : |
| | beef | | | broth | | | meat |
| natural occurrence in : |
| beef |
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