dibutyl sulfide
1,1'-thiobisbutane
Identification
| Name | dibutyl sulfide |
| IUPAC | 1-butylsulfanylbutane |
| CAS Number | 544-40-1 |
| EINECS | 208-870-5 |
| FDA UNII | 3E3H471GA3 |
| Molecular Formula | C8 H18 S |
| Molecular Weight | 146.29646000 |
| MDL Number | MFCD00009468 |
| Nikkaji Number | J6.416E |
| Beilstein | 1732829 |
| CoE Number | 484 |
Regulatory
| DG SANTE Food Flavourings | 12.007 dibutyl sulfide |
| FEMA Number | 2215 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 544-40-1 ; BUTYL SULFIDE |
| FDA Regulation | FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION |
Physical Properties
| Appearance | colorless to pale yellow clear liquid (est) |
| Assay | 99.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.83900 to 0.84100 @ 20.00 °C. |
| Pounds per Gallon - (est). | 6.989 to 7.006 |
| Refractive Index | 1.45100 to 1.45400 @ 20.00 °C. |
| Melting Point | -76.00 °C. @ 760.00 mm Hg |
| Boiling Point | 182.00 to 189.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 1.200000 mmHg @ 25.00 °C. |
| Vapor Density | 5.07 ( Air = 1 ) |
| Flash Point | 165.00 °F. TCC ( 73.89 °C. ) |
| logP (o/w) | 4.034 (est) |
| Soluble in | alcohol |
| Insoluble in | water |
Cosmetic Information
| CosIng | cosmetic data |
| Cosmetic Uses | perfuming agents |
Organoleptic Properties
| Odor Strength | high , |
| Substantivity | 20 hour(s) at 100.00 % |
| Odor Description |
at 0.10 % in dipropylene glycol. at 1.00 %. floral/violet, green leaf, herbaceous, onion/garlic ALLIACEOUS,GREEN,VIOLET,HERBACEOUS
|
| Odor sample from | International Flavors & Fragrances Inc. |
| Taste Description |
at 5.00 ppm. green
|
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Human Experience | 8 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity | oral-rat LD50 2220 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 > 5000 mg/kg |
| 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 | flavor and fragrance agents |
| RIFM Fragrance Material Safety Assessment | Search |
| Recommendation for dibutyl sulfide usage levels up to | 0.1000 % in the fragrance concentrate. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 2.30 (μg/capita/day) |
| Structure Class | I |
| baked goods | 0.03000 |
| beverages(nonalcoholic) | 0.02000 |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | 0.01000 |
| fruit ices | 0.01000 |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | 0.03000 |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | - |
| milk products | - |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | - |
| snack foods | - |
| soft candy | - |
| soups | - |
| sugar substitutes | - |
| sweet sauces | - |
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