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2-naphthyl mercaptan
General Material Information
| Preferred name | 2-naphthyl mercaptan |
| Trivial Name | 2-Naphthalenethiol |
| Short Description | 2-naphthalenethiol |
| Formula | C10 H8 S |
| CAS Number | 91-60-1 |
| FEMA Number | 3314 |
| Flavis Number | 12.033 |
| ECHA Number | 202-082-5 |
| FDA UNII | SZ5U1S741V |
| Nikkaji Number | J60.031H |
| Beilstein Number | 0636389 |
| MDL | MFCD00004086 |
| COE Number | 2330 |
| Bio Activity Summary | External link |
| NMR Predictor | External link |
| JECFA Food Flavoring | 531 2-naphthalenethiol |
| FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm | 91-60-1 ; 2-NAPHTHALENTHIOL |
| Synonyms |
|
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Literature & References
| naphthalene-2-thiol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 91-60-1 |
| Pubchem (cid): | 7058 |
| Pubchem (sid): | 134971580 |
Other Information
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Substances Added to Food (formerly EAFUS): | View |
| HMDB (The Human Metabolome Database): | HMDB29689 |
| FooDB: | FDB000875 |
| Export Tariff Code: | 2930.90.2900 |
| ChemSpider: | View |
| FAO: | 2-Naphthalenethiol |
Suppliers
| BOC Sciences | Parchem |
| Penta International | Santa Cruz Biotechnology |
| Sigma-Aldrich: Aldrich | Synerzine |
| TCI AMERICA | Penta International Corporation |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 160.23875427246 |
| Melting Point | 79 to 83°C @ 760 mm Hg |
| Boiling Point | 286 to 288°C @ 760 mm Hg |
| Boiling Point | 210 to 211°C @ 100 mm Hg |
| Vapor Pressure | 0.005 mmHg @ 25 °C |
| Flash Point TCC Value | 133.89 °C TCC |
| logP (o/w) | 3.511 est |
| Solubility | |
| alcohol | Yes |
| dipropylene glycol | Yes |
| water, slightly | Yes |
| water, 34.4 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Sulfurous | |
| sulfurous, rubbery, meaty, roasted, woody, creamy, oily, brown, brothy, mushroom | |
| Luebke, William tgsc, (2007) | At 0.10 % in propylene glycol. sulfurous rubbery meaty roasted woody creamy artichoke |
| Mosciano, Gerard P&F 19, No. 1, 27, (1994) | Sulfureous, oily, brown, brothy, meaty, rubbery, mushroom-like |
| Flavor Type: Sulfurous | |
| sulfurous, meaty, brown, chicken roasted chicken, eggy, nutty | |
| Mosciano, Gerard P&F 19, No. 1, 27, (1994) | At 10.00 ppm. Sulfureous, meaty, brown, roasted, chicken, eggy with a slight nutty nuance |
Safety Information
Safety information
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
| R 22 - Harmful if swallowed. R 51/53 - Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 37/39 - Wear suitable gloves and eye/face protection. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| intraperitoneal-mouse LD50 200 mg/kg National Technical Information Service. Vol. AD277-689 oral-mouse LD50 385 mg/kg Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| flavoring agents | |||
| Recommendation for 2-naphthyl mercaptan usage levels up to: | |||
| not for fragrance use. | |||
| Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). | |||
| The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library | |||
| publication number: 5 | |||
| Click here to view publication 5 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 0.50000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | 0.50000 | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | 0.50000 | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | 0.50000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | 0.50000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):91-60-1 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :7058 |
| National Institute of Allergy and Infectious Diseases:Data |
| WISER:UN 3335 |
| WGK Germany:3 |
| naphthalene-2-thiol |
| Chemidplus:0000091601 |
| RTECS:QK3930000 for cas# 91-60-1 |