1191-08-8

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1191-08-8 Structure

Identification	More
[Name] 1,4-BUTANEDITHIOL
[CAS] 1191-08-8
[Synonyms] 1,4-BUTANEDITHIOL 1,4-DIMERCAPTOBUTANE TETRAMETHYLENE DIMERCAPTAN TETRAMETHYLENE DITHIOL butane-1,4-dithiol 1,4-BUTANEDITHIOL, TECH., 90% 1 4-BUTANEDITHIOL 97+% Butan-1,4-dithiol 1,4-BUTANEDITHIOL 97% 1,4-Dimercaptobutane, Tetramethylene dimercaptan 1,4-Butanebisthiol Butane-1,4-bisthiol
[EINECS(EC#)] 214-728-3
[Molecular Formula] C4H10S2
[MDL Number] MFCD00004906
[Molecular Weight] 122.25
[MOL File] 1191-08-8.mol

Chemical Properties	Back Directory
[Appearance] clear colorless to pale yellow liquid
[Melting point ] -53.9°C
[Boiling point ] 105-106 °C/30 mmHg (lit.)
[density ] 1.042 g/mL at 25 °C(lit.)
[refractive index ] n20/D 1.529(lit.)
[Fp ] >230 °F
[form ] liquid
[pka] 10.07±0.10(Predicted)
[color ] Colorless to Almost colorless
[Odor] at 0.01 % in propylene glycol. sulfurous meaty
[biological source] synthetic
[Odor Type] sulfurous
[BRN ] 1697080
[Major Application] flavors and fragrances
[InChI] InChI=1S/C4H10S2/c5-3-1-2-4-6/h5-6H,1-4H2
[InChIKey] SMTOKHQOVJRXLK-UHFFFAOYSA-N
[SMILES] C(S)CCCS
[LogP] 2.190
[CAS DataBase Reference] 1191-08-8(CAS DataBase Reference)
[EPA Substance Registry System] 1,4-Butanedithiol (1191-08-8)

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H227-H302+H312+H332-H315-H319
[Precautionary statements ] P210-P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P370+P378-P403+P235-P501
[Hazard Codes ] Xi
[Risk Statements ] R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ] S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing .
[RIDADR ] UN 2810 6.1/PG 3
[WGK Germany ] 3
[F ] 13
[TSCA ] TSCA listed
[HS Code ] 29309090
[Storage Class] 10 - Combustible liquids

Hazard Information	Back Directory
[Chemical Properties] clear colorless to pale yellow liquid
[Uses] flavors and fragrances
[Synthesis Reference(s)] The Journal of Organic Chemistry, 20, p. 50, 1955 DOI: 10.1021/jo01119a009
[General Description] 1,4-Butanedithiol, an alkanedithiol, is a food odorant. Its odor threshold is similar to its other homologs (propane-1,3-dithiol and pentane-1,5-dithiol).

Spectrum Detail	Back Directory
[Spectrum Detail] 1,4-BUTANEDITHIOL(1191-08-8)MS 1,4-BUTANEDITHIOL(1191-08-8)¹HNMR 1,4-BUTANEDITHIOL(1191-08-8)¹³CNMR 1,4-BUTANEDITHIOL(1191-08-8)IR1 1,4-BUTANEDITHIOL(1191-08-8)Raman

Well-known Reagent Company Product Information	Back Directory
[Acros Organics] 1,4-Butanedithiol, 94%(1191-08-8)
[Sigma Aldrich] 1191-08-8(sigmaaldrich)
[TCI AMERICA] 1,4-Butanedithiol,>95.0%(GC)(T)(1191-08-8)

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