phenyl mercaptan
benzenethiol
Identification
| Name | phenyl mercaptan |
| IUPAC | benzenethiol |
| CAS Number | 108-98-5 |
| EINECS | 203-635-3 |
| FDA UNII | 7K011JR4T0 |
| Molecular Formula | C6 H6 S |
| Molecular Weight | 110.17882000 |
| MDL Number | MFCD00004826 |
| Nikkaji Number | J2.874F |
| Beilstein | 0506523 |
| CoE Number | 11585 |
| XlogP3 | 2.50 (est) |
Regulatory
| JECFA Food Flavoring | 525 benzenethiol |
| DG SANTE Food Flavourings | 12.080 thiophenol |
| FEMA Number | 3616 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 108-98-5 ; BENZENETHIOL |
| 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 | 97.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 1.07300 to 1.08000 @ 25.00 °C. |
| Pounds per Gallon - (est). | 8.928 to 8.987 |
| Refractive Index | 1.58900 to 1.59300 @ 20.00 °C. |
| Melting Point | -15.00 °C. @ 760.00 mm Hg |
| Boiling Point | 169.00 °C. @ 760.00 mm Hg, 46.40 °C. @ 10.00 mm Hg |
| Vapor Pressure | 2.073000 mmHg @ 25.00 °C. (est) |
| Vapor Density | 3.8 ( Air = 1 ) |
| Flash Point | 123.00 °F. TCC ( 50.56 °C. ) |
| logP (o/w) | 2.520 |
| Soluble in | alcohol, slightly |
| Insoluble in | water |
| Similar Items | note |
Organoleptic Properties
| Odor Description |
at 0.10 % in propylene glycol. Meaty, phenolic, sulfuraceous, with a rubbery allicious backnote
|
| Taste Description | at 20.00 ppm. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | gavage-rat LD50 46 mg/kg |
| Dermal Toxicity | skin-rabbit LD50 134 mg/kg |
| Inhalation Toxicity | inhalation-mouse LC50 28 ppm/4H |
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 phenyl mercaptan usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.73 (μg/capita/day) |
| Structure Class | II |
| baked goods | - |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | - |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | - |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | - |
| hard candy | - |
| 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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Potential Uses
Natural Occurrence
Synonyms
benzene thiol
benzenethiol
mercaptobenzene
phenol, thio-
phenyl thiol
phenylmercaptan
phenylsulfide
thiophenol
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