butyl disulfide
dibutyl disulfide
Identification
| Name | butyl disulfide |
| IUPAC | 1-butyldisulfanylbutane |
| CAS Number | 629-45-8 |
| EINECS | 211-091-3 |
| FDA UNII | Z77EF35C0Q |
| Molecular Formula | C8 H18 S2 |
| Molecular Weight | 178.36146000 |
| MDL Number | MFCD00009467 |
| Nikkaji Number | J43.516C |
| Beilstein | 1735184 |
Regulatory
| DG SANTE Food Flavourings | 12.111 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 SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | Not determined |
| Inhalation Toxicity | Not determined |
GHS Classification
['GHS Classification in accordance with 29 CFR 1910 (OSHA HCS)', 'GHS Label elements, including precautionary statements']
Safety in Use
| Category | flavoring agents |
| Recommendation for butyl disulfide usage levels up to | not 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 Concern | 1800 (μg/person/day) |
| Structure Class | I |
| 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
Natural Occurrence
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.