amyl mercaptan
1-pentanethiol
Identification
| Name | amyl mercaptan |
| IUPAC | pentane-1-thiol |
| CAS Number | 110-66-7 |
| EINECS | 203-789-1 |
| FDA UNII | 9A3YK965F3 |
| Molecular Formula | C5 H12 S |
| Molecular Weight | 104.21564000 |
| MDL Number | MFCD00004907 |
| Nikkaji Number | J43.568F |
| Beilstein | 1730979 |
Regulatory
| JECFA Food Flavoring | 1662 1-pentanethiol |
| DG SANTE Food Flavourings | 12.191 pentane-1-thiol |
| FEMA Number | 4333 |
| FDA | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF) | 110-66-7 ; 1-PENTANETHIOL |
Physical Properties
| Appearance | colorless clear liquid (est) |
| Assay | 95.00 to 100.00 |
| Food Chemicals Codex Listed | No |
| Specific Gravity | 0.83100 to 0.84400 @ 25.00 °C. |
| Pounds per Gallon - (est). | 6.915 to 7.023 |
| Refractive Index | 1.44100 to 1.45000 @ 20.00 °C. |
| Boiling Point | 126.00 to 127.00 °C. @ 760.00 mm Hg |
| Vapor Pressure | 13.800000 mmHg @ 25.00 °C. |
| Flash Point | 65.00 °F. TCC ( 18.33 °C. ) |
| logP (o/w) | 2.740 |
| Soluble in | alcohol |
| Similar Items | note |
Organoleptic Properties
| Odor Description | at 0.10 % in propylene glycol. |
Safety Information
| Preferred SDS | View |
| European information | Most important hazard(s): |
| Oral/Parenteral Toxicity | Not determined |
| Dermal Toxicity | subcutaneous-mouse LD50 > 100 mg/kg |
| Inhalation Toxicity | inhalation-rat TCLo 2000 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 amyl mercaptan usage levels up to | not for fragrance use. |
| Maximised Survey-derived Daily Intakes (MSDI-EU) | 0.12 (μg/capita/day) |
| Modified Theoretical Added Maximum Daily Intake (mTAMDI) | 78 (μg/person/day) |
| NOEL (No Observed Effect Level) | 0.56 (mg/kg bw per day) |
| Threshold of Concern | 1800 (μg/person/day) |
| Structure Class | I |
| baked goods | 0.06000 |
| beverages(nonalcoholic) | - |
| beverages(alcoholic) | - |
| breakfast cereal | - |
| cheese | 0.01000 |
| chewing gum | - |
| condiments / relishes | - |
| confectionery froastings | - |
| egg products | - |
| fats / oils | - |
| fish products | 0.10000 |
| frozen dairy | - |
| fruit ices | - |
| gelatins / puddings | - |
| granulated sugar | - |
| gravies | 0.05000 |
| hard candy | - |
| imitation dairy | - |
| instant coffee / tea | - |
| jams / jellies | - |
| meat products | 0.10000 |
| milk products | 0.10000 |
| nut products | - |
| other grains | - |
| poultry | - |
| processed fruits | - |
| processed vegetables | - |
| reconstituted vegetables | - |
| seasonings / flavors | 0.40000 |
| snack foods | - |
| soft candy | - |
| soups | 0.10000 |
| sugar substitutes | - |
| sweet sauces | - |
| 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
amyl hydrosulfide
N-
amyl mercaptan
amyl sulfhydrate
amyl thioalcohol
N-
amylthiol
mercaptan C5
1-
pentane thiol
pentane-1-thiol
1-
pentanethiol
1-
pentanethiol 10% in triacetine
pentyl mercaptan
N-
pentyl mercaptan
pentylmercaptan
N-
pentylmercaptan
thioamyl alcohol
N-
thioamyl alcohol
PubMed:
Production of volatile organic sulfur compounds (VOSCs) by basidiomycetous yeasts.