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| IUPAC name : | hexane-1,6-dithiol |
| InChI : | InChI=1/C6H14S2/c7-5-3-1-2-4-6-8/h7-8H,1-6H2 |
| InChIKey : | SRZXCOWFGPICGA-UHFFFAOYAO |
| SMILES : | C(CCCS)CCS |
| (EINECS) number : | 214-735-1 |
| cas number : | 1191-43-1 |
| beilstein number : | 1732507 |
| fema number : | 3495 |
| coe number : | 11486 |
| jecfa number : | 540 |
| fl. number : | 12.067 |
| molar refractivity : | 45.63 ± 0.3 cm3 |
| parachor : | 374.5 ± 4.0 cm3 |
| index of refraction : | 1.498 ± 0.02 |
| surface tension : | 33.5 ± 3.0 dyne/cm |
| density : | 0.965 ± 0.06 g/cm3 |
| polarizability : | 18.09 ± 0.5 10-24cm3 |
| xlogp : | 3.00 |
| molecular weight : | 174.3267600 |
| formula : | C8 H14 S2 |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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Suppliers :
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| Fontarome Chemical : | 1, 6-HEXANEDITHIOL |
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| Sigma-Aldrich-SAFC : | 1,6-Hexanedithiol |
| | ≥97%, Kosher, FG |
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organoleptics :
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| odor type : | fatty |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in propylene glycol. | fatty meaty |
properties :
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| appearence : | colorless clear liquid |
| assay : | 97.00 - 100.00 %
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| Food Chemicals Codex Listed : | No |
| specific gravity : | 0.98300 - 0.99500 @ 25.00 °C.
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| pounds per gallon - calc. : | 8.180 to 8.279
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| refractive index : | 1.51100 - 1.51400 @ 20.00 °C.
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| melting point : | -21.00 °C. @ 760.00 mm Hg
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| boiling point : | 118.00 - 119.00 °C. @ 15.00 mm Hg
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| boiling point : | 242.00 - 243.00 °C. @ 760.00 mm Hg
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| logp : | 2.80 |
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. ) : | 195.00 °F. TCC ( 90.56 °C. )
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| recommendation for 1,6-hexane dithiol usage levels up to : | | | not for fragrance use.
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| recommendation for 1,6-hexane dithiol usage levels up to : | | | 1.0000 ppm in the flavor.
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safety links :
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| (EINECS) number : | 214-735-1 |
| rtecs : | MO3500000 for 1191-43-1 |
| chemidplus : | 001191431 |
| epa-srs : | 1191-43-1 |
| dtp/nci : | 29031 |
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other :
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references :
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| jecfa number : | 540 |
| fl. number : | 12.067 |
| pubchem : | 157765 |
| NIST Chemistry WebBook : | 1774564069 |
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| synonyms : |
| 1,6- | diercaptohexane | | 1,6- | dimercaptohexane | | | hexamethylene dimercaptan | | 1,6- | hexane dimercaptan | | 1,6- | hexane dithiol | | | hexane-1,6-dithiol | | 1,6- | hexanedithiol |
| soluble in : |
| | alcohol | | | fats |
| insoluble in : |
| | water |
| (odor and/or flavor) blends with : |
| | acetyl butyryl |
| | acetyl isobutyryl |
| | acetyl nonyryl |
| 2- | acetyl pyridine |
| 4- | acetyl-2-methyl pyrimidine |
| | aldehydic nitrile |
| | allyl cyclohexyl hexanoate |
| | allyl cyclohexyl propionate |
| | allyl hexanoate |
| | allyl octanoate |
| 4- | allyl-2,6-dimethoxyphenol |
| | amber carbinol |
| 4- | aminobutyric acid |
| alpha- | amyl cinnamaldehyde / methyl anthranilate schiff's base |
| | amyl hexanoate |
| iso | amyl laurate |
| | amyl mercaptan |
| 6- | amyl-alpha-pyrone |
| | amyris acetate |
| | bacon dithiazine |
| | benzothiazole |
| | benzyl lactate |
| | benzyl laurate |
| | benzyl octanoate |
| 1,2- | butane dithiol |
| 1,3- | butane dithiol |
| 2,3- | butane dithiol |
| | butyl oleate |
| | butyl stearate |
| iso | butyl stearate |
| | butyl undecylenate |
| iso | butyl undecylenate |
| 2-(2- | butyl)-4,5-dimethyl-3-thiazoline |
| | butyraldehyde |
| gamma- | butyrolactone |
| | coconut absolute |
| | coffee difuran |
| | costus valerolactone |
| | cumin seed oil |
| | cyclohexyl acetic acid |
| | cyclopropyl (E,Z)-2,6-nonadienamide |
| | cypress absolute |
| | dairy lactone |
| (E,E)-2,4- | decadien-1-al |
| (E,Z)-2,4- | decadien-1-al |
| 2,4- | decadien-1-al |
| 2,4- | decadien-1-ol |
| | decanal / methyl anthranilate schiff's base |
| | decanoic acid |
| 3-oxo | decanoic acid glyceride |
| | decanol |
| (E)-2- | decen-1-al |
| (E)-4- | decen-1-al |
| 2- | decen-1-al |
| 4- | decen-1-al |
| (E)-2- | decen-1-ol |
| (Z)-5- | decen-1-ol |
| (E)-2- | decen-1-yl acetate |
| 3- | decen-2-one |
| 2- | decenoic acid |
| 9- | decenoic acid |
| | decyl propionate |
| | decyl vinyl ether |
| 2,5- | diethyl thiazole |
| 3,5- | diethyl-2-methyl pyrazine |
| 2,5- | diethyl-3-methyl pyrazine |
| | difurfuryl sulfide |
| 2,5- | dihydroxy-1,4-dithiane |
| | dihydroxyacetophenone |
| N-(2,4- | dimethoxybenzyl)-N2-(2-(pyridin-2-yl)ethyl) oxalamide |
| N-(2-(3,4- | dimethoxyphenyl)ethyl)-3,4-dimethoxycinnamic acid amide |
| 2,5- | dimethyl furan |
| 2,3- | dimethyl quinoxaline |
| | dimethyl sulfoxide |
| | dimethyl tetrasulfide |
| 2,6- | dimethyl thiophenol |
| | dimethyl trisulfide |
| 4,5- | dimethyl-2-ethyl-3-thiazoline |
| 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 |
| 3,7- | dimethyl-6-octenoic acid |
| | dioctyl malonate |
| (E,E)-2,4- | dodecadien-1-al |
| gamma- | dodecalactone |
| | dodecanal |
| | dodecanal dimethyl acetal |
| 3-oxo | dodecanoic acid glyceride |
| | dodecanol |
| | dodecen-1-ol |
| (E)-2- | dodecen-1-ol |
| (E)-2- | dodecen-1-yl acetate |
| 11- | dodecenoic acid |
| delta-2- | dodecenolactone |
| | elecampane root absolute |
| | epoxy-2-decenal |
| 2,3- | epoxydecanal |
| 2,3- | epoxyheptanal |
| 1,1- | ethane dithiol 1% in ethanol |
| 2- | ethoxythiazole |
| | ethyl (E,Z)-2,6-nonadienamide |
| | ethyl (E)-2-octenoate |
| S- | ethyl 2-acetyl aminoethane thioate |
| | ethyl 2,4,7-decatrienoate |
| | ethyl 3-mercaptopropionate |
| | ethyl 4-(acetyl thio) butyrate |
| | ethyl acetoacetate |
| | ethyl hexanoate |
| S- | ethyl thioacetate |
| | ethyl undecanoate |
| | ethyl undecylenate |
| (Z+E)-5- | ethyl-4-methyl-2-(2-butyl) thiazoline |
| (Z+E)-5- | ethyl-4-methyl-2-(2-methyl propyl) thiazoline |
| | fish thiol |
| | fresh carbaldehyde |
| | furfuryl hexanoate |
| | furfuryl isopropyl sulfide |
| | furfuryl mercaptan |
| 4- | furfuryl thio-2-pentanone |
| | gingergrass oil |
| | glyceryl tributyrate |
| | green hexanal |
| | guaiyl acetate |
| | hazelnut pyrazine |
| (E,E)-2,4- | heptadien-1-al |
| N-( | heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamide |
| | heptanal cyclic propylene acetal |
| 3- | heptanone |
| (E)-2- | hepten-1-al |
| (Z)-4- | hepten-1-al |
| 2- | hepten-1-al |
| (Z)-4- | hepten-1-al diethyl acetal |
| (E)-2- | hepten-1-ol |
| (E)-2- | hepten-1-yl acetate |
| 2- | heptyl furan |
| 3-oxo | hexadecanoic acid glyceride |
| | hexanal |
| | hexanal butane-2,3-diol acetal |
| | hexanal octane-1,3-diol acetal |
| | hexanoic acid |
| 3-oxo | hexanoic acid diglyceride |
| (E)-2- | hexen-1-al |
| (E)-3- | hexen-1-ol |
| (Z)-3- | hexen-1-yl benzoate |
| (Z)-3- | hexen-1-yl pyruvate |
| | hexyl (E)-2-hexenoate |
| alpha- | hexyl cinnamaldehyde dimethyl acetal |
| | hexyl mercaptan |
| | hexyl pivalate |
| 5- | hydroxymethyl furfural |
| | jasmin absolute pommade |
| | lauric acid |
| | massoia bark oil |
| | meaty dithiane |
| | melon valerate |
| 4- | mercapto-2-pentanone 1% in acetoin |
| (R*,S*)-2- | mercapto-3-butanol |
| 2- | mercapto-3-pentanone |
| 2- | mercaptomethyl pyrazine |
| 2- | mercaptopropionic acid |
| 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 |
| | methyl 10-undecenal |
| | methyl 2-hexenoate |
| | methyl 2-methyl butyrate |
| | 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 benzoxole |
| | methyl dihydrofuran thiol |
| 2- | methyl hexanoic acid |
| 5- | methyl hexanoic acid |
| | methyl myristate |
| 4- | methyl nonanoic acid |
| 4- | methyl octanoic acid |
| 2- | methyl pyrazine |
| 2- | methyl thiazolidine |
| dextro,laevo-3-( | methyl thio) butanone |
| 2-( | methyl thio) ethanol |
| 3-( | methyl thio) propanol |
| 3-( | methyl thio) propyl acetate |
| 12- | methyl tridecanal |
| | methyl undecanoate |
| | methyl undecylenate |
| 2- | methyl-1-methyl thio-2-butene |
| 3- | methyl-2-butane thiol |
| 3- | methyl-2-cyclopenten-1-one |
| 3-(5- | methyl-2-furyl) butanal |
| 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 |
| dextro,laevo- | muscone |
| nor | muscone |
| | myristic acid |
| 2- | naphthyl mercaptan |
| | neryl acetone |
| | neryl butyrate |
| (E,E)-2,4- | nonadien-1-al |
| (E,Z)-2,6- | nonadien-1-al |
| 2,4- | nonadien-1-al |
| (E,Z)-3,6- | nonadien-1-ol |
| 2,4- | nonadien-1-ol |
| (E,Z)-2,6- | nonadien-1-yl acetate |
| 1,9- | nonane dithiol |
| | nonanol |
| (E)-2- | nonen-1-al |
| (Z)-2- | nonen-1-al |
| 2- | nonen-1-al |
| (Z)-6- | nonen-1-ol |
| (E)-2- | nonenoic acid |
| 2- | nonenoic acid |
| | nutty thiazole |
| 9- | octadecenal |
| (E,E)-2,4- | octadien-1-al |
| 2,4- | octadien-1-al |
| 2,4- | octadien-1-ol |
| delta- | octalactone |
| gamma- | octalactone |
| | octanal / methyl anthranilate schiff's base |
| | octanal diethyl acetal |
| | octanal glycol acetal |
| 1,8- | octane dithiol |
| | octane nitrile |
| | octanoic acid |
| 3-oxo | octanoic acid glyceride |
| | octanol |
| 2- | octanol |
| (E)-2- | octen-1-al |
| 2- | octen-1-al |
| (Z)-3- | octen-1-ol |
| (E)-2- | octen-1-yl acetate |
| | octen-1-yl cyclopentanone |
| (E)-2- | octenoic acid |
| (Z)-5- | octenoic acid |
| 3- | octenoic acid |
| | octyl heptanoate |
| | octyl isobutyrate |
| | oleic acid |
| | oleyl acetate |
| (Z)- | oleyl alcohol |
| | orris root concrete |
| | palmitic acid |
| | peanut dithiazine |
| 4- | penten-1-yl acetate |
| 2- | pentyl pyridine |
| | perilla alcohol |
| | perilla oil |
| laevo- | perillaldehyde |
| | petal pyranone |
| 1- | phenethyl mercaptan |
| | pimenta leaf oil |
| 1,3- | propane dithiol |
| 2- | propionyl-2-thiazoline |
| | propyl 2-mercaptopropionate |
| | propyl 2-methyl-3-furyl disulfide |
| | propyl 2,4-decadienoate |
| iso | propyl disulfide |
| iso | propyl mercaptan |
| iso | propyl myristate |
| | pyrazinyl ethane thiol |
| 2- | pyridinyl methane thiol |
| | pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine |
| | roasted butanol |
| | rum ether |
| | strawberry furanone acetate |
| | strawberry glycidate 1 |
| | sulfurol |
| | sulfuryl acetate |
| alpha- | terpinen-7-al |
| | terpinyl isobutyrate |
| delta- | tetradecalactone |
| | tetradecanal |
| 3- | tetrahydrothiophenone |
| | thialdine |
| 3- | thienyl mercaptan |
| 1-(2- | thienyl) butanone |
| ortho- | thiocresol |
| | thioguaiacol |
| | tmh aldehyde |
| (E,Z,Z)-2,4,7- | tridecatrien-1-al |
| 2,4,6- | trithiaheptane 10% in triacetin |
| | tyramine |
| 2,4- | undecadien-1-ol |
| delta- | undecalactone |
| gamma- | undecalactone |
| | undecanal |
| | undecanal propylene glycol acetal |
| | undecanoic acid |
| 2- | undecanone |
| 10- | undecen-1-al |
| 10- | undecen-2-one |
| iso | valeraldehyde |
| | valeraldehyde diethyl acetal |
| iso | valeraldehyde diethyl acetal |
| | valeraldehyde propylene glycol acetal |
| (odor and/or flavor) used in : |
| | beef | | | meat |
| natural occurrence in : |
| beef |
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