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| IUPAC name : | butane-1,3-dithiol |
| InChI : | InChI=1/C4H10S2/c1-4(6)2-3-5/h4-6H,2-3H2,1H3 |
| InChIKey : | XMEPRJBZFCWFKN-UHFFFAOYAS |
| SMILES : | CC(CCS)S |
| (EINECS) number : | 246-172-2 |
| cas number : | 24330-52-7 |
| fema number : | 3529 |
| coe number : | 11910 |
| jecfa number : | 538 |
| fl. number : | 12.073 |
| molar refractivity : | 36.33 ± 0.3 cm3 |
| parachor : | 292.3 ± 4.0 cm3 |
| index of refraction : | 1.502 ± 0.02 |
| surface tension : | 31.8 ± 3.0 dyne/cm |
| density : | 0.993 ± 0.06 g/cm3 |
| polarizability : | 14.40 ± 0.5 10-24cm3 |
| xlogp : | 2.20 |
| molecular weight : | 122.2522000 |
| formula : | C4 H10 S2 |
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| export tariff code : | unspecified |
| fda reg : | unspecified |
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Suppliers :
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| Sigma-Aldrich-SAFC : | 1,3-Butanedithiol |
| | ≥97% |
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organoleptics :
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| odor type : | alliaceous |
| odor strength : | high ,
recommend smelling in a 0.10 % solution or less |
odor description :
at 0.10 % in propylene glycol. | garlic meaty sulfury onion spicy |
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 : | 1.05200 @ 20.00 °C.
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| refractive index : | 1.52600 - 1.53600 @ 20.00 °C.
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| boiling point : | 91.00 - 93.00 °C. @ 30.00 mm Hg
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| logp : | 2.05 |
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. ) : | 150.00 °F. TCC ( 65.56 °C. )
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| recommendation for 1,3-butane dithiol usage levels up to : | | | not for fragrance use.
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| recommendation for 1,3-butane dithiol usage levels up to : | | | 30.0000 ppm in the flavor.
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safety links :
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| (EINECS) number : | 246-172-2 |
| chemidplus : | 024330527 |
| epa-srs : | 24330-52-7 |
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| EPI System : | Click here |
other :
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references :
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| jecfa number : | 538 |
| fl. number : | 12.073 |
| pubchem : | 204751 |
| NIST Chemistry WebBook : | 533075840 |
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| synonyms : |
| 1,3- | butane dithiol | | | butane-1,3-dithiol | | 1,3- | butanedithiol | | 1,3- | dimercaptobutane | | | garlic dithiol |
| soluble in : |
| | fats |
| insoluble in : |
| | water |
| (odor and/or flavor) blends with : |
| 4- | acetyl-2-methyl pyrimidine |
| | allyl disulfide |
| | allyl mercaptan |
| | allyl methyl disulfide |
| | allyl methyl sulfide |
| | allyl methyl trisulfide |
| | allyl propyl disulfide |
| | allyl propyl sulfide |
| | allyl propyl trisulfide |
| | allyl sulfide |
| | allyl thiopropionate |
| 4- | allyl-2,6-dimethoxyphenol |
| 4- | aminobutyric acid |
| | amyl mercaptan |
| | asafetida absolute |
| | bacon dithiazine |
| | benzyl mercaptan |
| 2,3- | butane dithiol |
| | butyl mercaptan |
| 2-(2- | butyl)-4,5-dimethyl-3-thiazoline |
| | butyraldehyde |
| | coffee difuran |
| | cyclopentyl mercaptan |
| | cyclopropyl (E,Z)-2,6-nonadienamide |
| | diallyl polysulfides |
| | diallyl tetrasulfide |
| | diallyl trisulfide |
| | diethyl disulfide |
| 2,5- | diethyl thiazole |
| | diethyl trisulfide |
| 3,5- | diethyl-2-methyl pyrazine |
| 2,5- | diethyl-3-methyl pyrazine |
| | difurfuryl sulfide |
| 2,5- | dihydroxy-1,4-dithiane |
| | diisopropyl sulfide |
| | diisopropyl trisulfide |
| 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 |
| | 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 |
| 2,5- | dimethyl-3-thiofuroyl furan |
| | dipropyl sulfide |
| | dipropyl trisulfide |
| 1,4- | dithiane |
| 1,1- | ethane dithiol 1% in ethanol |
| | ethyl (E,Z)-2,6-nonadienamide |
| S- | ethyl 2-acetyl aminoethane thioate |
| | ethyl 3-(furfuryl thio) propionate |
| | ethyl 3-mercaptopropionate |
| | ethyl 4-(acetyl thio) butyrate |
| | ethyl isothiocyanate |
| | ethyl methyl sulfide |
| | ethyl methyl trisulfide |
| | ethyl propyl disulfide |
| | ethyl propyl trisulfide |
| S- | ethyl thioacetate |
| | ethyl vinyl ketone |
| (Z+E)-5- | ethyl-4-methyl-2-(2-butyl) thiazoline |
| (Z+E)-5- | ethyl-4-methyl-2-(2-methyl propyl) thiazoline |
| | fish thiol |
| | furfuryl isopropyl sulfide |
| | furfuryl methyl sulfide |
| 4- | furfuryl thio-2-pentanone |
| | furfuryl thiopropionate |
| | garlic oil china |
| | garlic oleoresin |
| | hazelnut pyrazine |
| N-( | heptan-4-yl)benzo(D)(1,3)dioxole-5-carboxamide |
| 1,6- | hexane dithiol |
| | hexyl mercaptan |
| | meaty dithiane |
| 1-para- | menthene-8-thiol |
| 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 2-methyl-3-furyl disulfide |
| 2- | methyl 3-(methyl thio) furan 10% in triacetin |
| | methyl 3-(methyl thio) propionate |
| 4- | methyl 4-mercaptopentan-2-one 1% in pg |
| 2- | methyl 5-(methyl thio) furan |
| | methyl dihydrofuran thiol |
| | methyl mercaptan |
| 4- | methyl nonanoic acid |
| | methyl propyl disulfide |
| | methyl propyl trisulfide |
| 2- | methyl pyrazine |
| 2- | methyl thiazolidine |
| 2-( | methyl thio) acetaldehyde |
| 4-( | methyl thio) butanol |
| S-( | methyl thio) butyrate |
| 2-( | methyl thio) ethanol |
| 3-( | methyl thio) hexanol |
| bis( | methyl thio) methane |
| 1-( | methyl thio)-2-butanone |
| 12- | methyl tridecanal |
| 2- | methyl-1-methyl thio-2-butene |
| 3- | methyl-2-butane thiol |
| 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- | naphthyl mercaptan |
| 1,9- | nonane dithiol |
| | nutty thiazole |
| 1,8- | octane dithiol |
| | peanut dithiazine |
| 1- | phenethyl mercaptan |
| | phenyl mercaptan |
| 1,3- | propane dithiol |
| 2- | propionyl-2-thiazoline |
| | propyl 2-mercaptopropionate |
| | propyl 2-methyl-3-furyl disulfide |
| iso | propyl disulfide |
| iso | propyl mercaptan |
| | propyl thioacetate |
| | pyrazinyl ethane thiol |
| 2- | pyridinyl methane thiol |
| | pyrrolidino-(1,2E)-4H-2,4-dimethyl-1,3,5-dithiazine |
| | roasted butanol |
| | rum ether |
| | sulfuryl acetate |
| 3- | tetrahydrothiophenone |
| | thialdine |
| 3- | thienyl mercaptan |
| 1-(2- | thienyl) butanone |
| ortho- | thiocresol |
| | thioguaiacol |
| | tonka bean oleoresin |
| | tyramine |
| (odor and/or flavor) used in : |
| | beef | | | butter | | | cheese | | | fish | | | garlic | | | liver | | | mushroom | | | nut | | | onion | | | pork |
| natural occurrence in : |
| not found in nature |
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