Identification

Namebutyl disulfide
IUPAC1-butyldisulfanylbutane
CAS Number629-45-8
EINECS211-091-3
FDA UNIIZ77EF35C0Q
Molecular FormulaC8 H18 S2
Molecular Weight178.36146000
MDL NumberMFCD00009467
Nikkaji NumberJ43.516C
Beilstein1735184

Regulatory

DG SANTE Food Flavourings12.111 dibutyl disulfide

Physical Properties

Appearance pale yellow clear liquid (est)
Assay 95.00 to 100.00
Food Chemicals Codex Listed No
Specific Gravity 0.93400 to 0.94000 @ 25.00 °C.
Pounds per Gallon - (est). 7.772 to 7.822
Refractive Index 1.48800 to 1.49400 @ 20.00 °C.
Boiling Point 229.00 to 233.00 °C. @ 760.00 mm Hg
Vapor Pressure 52.000000 mmHg @ 38.00 °C.
Vapor Density 6.16 ( Air = 1 )
Flash Point 199.00 °F. TCC ( 92.78 °C. )
logP (o/w) 5.207 (est)
Soluble in alcohol
Insoluble in water

Organoleptic Properties

Odor Description sulfurous

Safety Information

Preferred SDSView
European informationMost important hazard(s):
Oral/Parenteral ToxicityNot determined
Dermal ToxicityNot determined
Inhalation ToxicityNot determined

GHS Classification

['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']

Safety in Use

Categoryflavoring agents
Recommendation for butyl disulfide usage levels up tonot for fragrance use.
Maximised Survey-derived Daily Intakes (MSDI-EU)0.37 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI)78 (μg/person/day)
Threshold of Concern1800 (μg/person/day)
Structure ClassI
Dairy products, excluding products of category 02.0 (01.0)0.20000
Fats and oils, and fat emulsions (type water-in-oil) (02.0)0.10000
Edible ices, including sherbet and sorbet (03.0)0.20000
Processed fruit (04.1)0.20000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2)-
Confectionery (05.0)0.20000
Chewing gum (05.3)-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0)0.10000
Bakery wares (07.0)0.20000
Meat and meat products, including poultry and game (08.0)0.10000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0)0.10000
Eggs and egg products (10.0)-
Sweeteners, including honey (11.0)-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0)0.10000
Foodstuffs intended for particular nutritional uses (13.0)0.20000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1)0.10000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2)0.20000
Ready-to-eat savouries (15.0)0.40000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0)0.10000

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Potential Uses

FL garlic FL onion

Natural Occurrence

asafoetida oil

Synonyms

N- butyl disulfide 1-( butyldisulfanyl)butan 1-( butyldisulfanyl)butane 1- butyldisulfanylbutane dibutyl disulfide dibutyl disulphide disulfide, dibutyl 5,6- dithiadecane PubMed: Cysteine sulfoxides and volatile sulfur compounds from Allium tripedale. PubMed: From Molecules to Surfaces: Radical-Based Mechanisms of Si-S and Si-Se Bond Formation on Silicon. PubMed: Enantioselective oxidation of di-tert-butyl disulfide with a vanadium catalyst: progress toward mechanism elucidation. PubMed: Heinz body production and hematological changes in the hen after administration of a single oral dose of n-butyl mercaptan and n-butyl disulfide. PubMed: Chemical composition, antioxidant and antimicrobial activities of essential oil obtained from Ferula assa-foetida oleo-gum-resin: effect of collection time. PubMed: Essential oil composition analysis of three cultivars seeds of Resina ferulae from Xinjiang, China. PubMed: Rhodium-catalyzed disulfide exchange reaction. PubMed: Reductive metalation of cyclic and acyclic pseudopeptidic bis-disulfides and back conversion of the resulting diamidato/dithiolato complexes to bis-disulfides. PubMed: Preparation of DNA and RNA fragments containing guanine N(2)-thioalkyl tethers. PubMed: Polysulfide derivatives from Ferula foetida. PubMed: Hydrolysis of terbufos using simulated environmental conditions: rates, mechanisms, and product analysis. PubMed: Rhodium-catalyzed regio- and stereoselective 1-seleno-2-thiolation of 1-alkynes. PubMed: Synthesis of guanosine and deoxyguanosine phosphoramidites with cross-linkable thioalkyl tethers for direct incorporation into RNA and DNA. PubMed: Synthesis of S-linked alpha(2-->9) octasialic acid via exclusive alpha S-glycosidic bond formation. PubMed: Computational rationalization of the dependence of the enantioselectivity on the nature of the catalyst in the vanadium-catalyzed oxidation of sulfides by hydrogen peroxide. PubMed: Density functional study on the mechanism of the vanadium-catalyzed oxidation of sulfides by hydrogen peroxide. PubMed: Direct observation of thiolate displacement reactions on Au(111): the role of physisorbed disulfides. PubMed: Aerobic and anaerobic degradation of a range of alkyl sulfides by a denitrifying marine bacterium. PubMed: Temperature dependence of the disulfide perturbation to the triplet state of tryptophan. PubMed: Oxidation of sulfides and disulfides under electron transfer or singlet oxygen photosensitization using soluble or grafted sensitizers. PubMed: Enantioselective synthesis of tert-butyl tert-butanethiosulfinate catalyzed by cyclohexanone monooxygenase. PubMed: Effects of thiamine antagonists on nerve conduction. I. Actions of antimetabolites and fern extract on propagated action potentials. PubMed: Mechanism of thiolate-disulfide interchange reactions in biochemistry. PubMed: Nucleophilic reactions of phorate and terbufos with reduced sulfur species under anoxic conditions. PubMed: Improved synthesis of tert-butanesulfinamide suitable for large-scale production. PubMed: Induction of histone acetylation in mouse erythroleukemia cells by some organosulfur compounds including allyl isothiocyanate. PubMed: New components in defensive secretion of the striped skunk,Mephitis mephitis. PubMed: Effects of thiamine antagonists on nerve conduction. II. Voltage clamp experiments with antimetabolites.