Articles:
benzenethiol
Notes:
Flavouring agent
Thiophenol is a chemical compound with the formula C6H5SH, and sometimes abbreviated as PhSH. The foul-smelling liquid is the principal aromatic thiol. The chemical structures of thiophenols are analogous to phenols except the oxygen atom in the hydroxyl group (-OH) bonded to the aromatic ring is replaced by a sulfur atom. The prefix thio- implies a sulfur-containing compound and when used before a root word name for a compound which would normally contain an oxygen atom, thio- commonly means that the oxygen atom is replaced by a sulfur atom.; Thiophenols also describes a class of compounds formally derived from thiophenol itself. All have a sulfhydryl group (-SH) covalently bonded to an aromatic ring. The organosulfur ligand in medicine merthiolate is a thiophenol.
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Penta International Corporation Chemistry innovation At Penta, our products and services help businesses do business better. For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes. US Email: Technical Services US Email: Sales US Voice: (973) 740-2300 US Fax: (973) 740-1839 Product(s): 20-48000 THIOPHENOL 20-48001 THIOPHENOL SYNTHETIC 1% IN TRIACETIN 20-48002 THIOPHENOL SYNTHETIC 1% IN ETHYL ALCOHOL 20-48004 THIOPHENOL 1% IN PROPYLENE GLYCOL
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Sigma-Aldrich Complete Supply Chain The perfect blend of products and services that bring your creativity to life. Sigma-Aldrich is a leading Life Science and High Technology company dedicated to providing high-quality, safe and certified flavor ingredients with transparent and easily accessible documentation to customers around the globe. Sigma-Aldrich also provides a suite of analytical tools that allow food analysts to simplify sample preparation, cleanup and analysis steps, while increasing sensitivity to trace ingredients and harmful substances to meet regulations and quality standards. Email: Information US Email: Sales US Voice: 800-244-1173 US Fax: 800-368-4661 Facebook Twitter Instagram Linkedin Flavors and Fragrances Analysis FandF Newsletter Subscription Flavors and Fragrances Learning Center Certified Food Grade Products Product(s): W361607 Benzenethiol, ≥98%, FG SDS
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Synerzine, Inc. Innovation. Customization. Aroma Ingredients. Synerzine is a leading supplier of flavor and fragrance ingredients. Synerzine expresses what we have grown to embody as an organization - the synergy and connection between raw ingredients, science, technology, and the final product. Our experienced team is passionate about bringing our customers high-quality innovative ingredients that they can trust. Building upon our 44 year history, the Synerzine team provides customers around the globe with convenient access to over 1200 high-quality aroma ingredients. We actively engage with customers to add a wide array of new products and services on a regular basis. Our aim is to delight every customer with our exceptional services, large product selection, customization and the highest quality and safety standards. We provide our customers with true value designed to help them bring their products to market faster. US Email: Customer Service US Email: Sales US Voice: (404) 524-6744 US Fax: (404) 577-1651 Inquiry Products List: View Product(s): W2205 Benzenethiol W2205A THIOPHENOL
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WholeChem, LLC Connecting Innovators To the Building Blocks Of the Universe Custom manufacturer and distributor of specialty ingredients. We make global local. SQF-Certified Supplier We owe our success to our integrity, our dedication to the industry, and our commitment to our clients. We invite your inquiries regarding our current product list and any other products you may be having trouble sourcing. Email: Info Email: Orders Voice: +1 (262) 995.8668 Certification Our Services Products List: View Product(s): Benzenethiol, >=98%, FG
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| CAS Number: | 108-98-5 |  3D/inchi
|
| Other(deleted CASRN): | 1429189-89-8 | |
| ECHA EINECS - REACH Pre-Reg: | 203-635-3 | |
| FDA UNII: | 7K011JR4T0 | |
| Nikkaji Web: | J2.874F | |
| Beilstein Number: | 0506523 | |
| MDL: | MFCD00004826 | |
| CoE Number: | 11585 | |
| XlogP3: | 2.50 (est) | |
| Molecular Weight: | 110.17882000 | |
| Formula: | C6 H6 S | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavoring agents
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
| Google Scholar: | Search |
| Google Books: | Search |
| Google Scholar: with word "volatile" | Search |
| Google Scholar: with word "flavor" | Search |
| Google Scholar: with word "odor" | Search |
| Perfumer and Flavorist: | Search |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
| JECFA Food Flavoring: | 525 benzenethiol |
| DG SANTE Food Flavourings: | 12.080 thiophenol |
| FEMA Number: | 3616 benzenethiol |
| 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 Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
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 |
| Boiling Point: | 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 | |
| ether | |
| oils | |
| water, 765.5 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items: note | |
| allyl mercaptan | |
| amyl mercaptan | |
| isoamyl mercaptan | |
| sec-amyl mercaptan | |
| tert-amyl mercaptan | |
| benzyl mercaptan | |
| buchu mercaptan | |
| butyl mercaptan | |
| isobutyl mercaptan | |
| tert-butyl mercaptan | |
| cetyl mercaptan | |
| cyclohexyl mercaptan | |
| cyclopentyl mercaptan | |
| decyl mercaptan | |
| dodecyl mercaptan | |
| 2-ethyl hexyl mercaptan | |
| ethyl mercaptan | |
| ethylene mercaptan | |
| furfuryl mercaptan | |
| grapefruit mercaptan | |
| heptyl mercaptan | |
| hexyl mercaptan | |
| methyl mercaptan | |
| 2-naphthyl mercaptan | |
| nonyl mercaptan | |
| octyl mercaptan | |
| peach mercaptan | |
| 1-phenethyl mercaptan | |
| 2-phenethyl mercaptan | |
| prenyl mercaptan | |
| propyl mercaptan | |
| isopropyl mercaptan | |
| 2-thienyl mercaptan | |
| 3-thienyl mercaptan | |
| tridecyl mercaptan | |
| undecyl mercaptan | |
Organoleptic Properties:
| Odor Type: meaty | |
| garlic | |
| Odor Description: at 0.10 % in propylene glycol. | repulsive penetrating garlic |
| meaty phenolic sulfurous rubbery alliaceous | |
| Odor Description: | Meaty, phenolic, sulfuraceous, with a rubbery allicious backnote Mosciano, Gerard P&F 16, No. 2, 49, (1991) |
| Flavor Type: meaty | |
| meaty phenolic burnt rubbery sulfurous | |
| Taste Description: at 20.00 ppm. | Meaty, phenolic, with a burnt rubber sulfureous nuance Mosciano, Gerard P&F 16, No. 2, 49, (1991) |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| T+ - Very toxic. | |
|
R 10 - Flammable. R 24/25 - Toxic in contact with skin and if swallowed. R 26 - Very toxic by inhalation. R 41 - Risk of serious damage to eyes. S 01/02 - Keep locked up and out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. S 23 - Do not breath vapour. 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 28 - After contact with skin, wash immediately with plenty of water. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. S 45 - In case of accident or if you feel unwell seek medical advice immediately. | |
| 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: | |
|
gavage-rat LD50 46 mg/kg (Fairchild & Stokinger, 1958) oral-bird - wild LD50 24 mg/kg Toxicology and Applied Pharmacology. Vol. 21, Pg. 315, 1972. intraperitoneal-mouse LD50 25 mg/kg National Technical Information Service. Vol. AD277-689 oral-mouse LD50 267 mg/kg BEHAVIORAL: ATAXIA LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: "HYPERMOTILITY, DIARRHEA" National Technical Information Service. Vol. OTS0557376 intraperitoneal-rat LD50 9800 ug/kg BEHAVIORAL: COMA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958. oral-rat LD50 46200 ug/kg LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: COMA American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 134 mg/kg BEHAVIORAL: MUSCLE WEAKNESS LUNGS, THORAX, OR RESPIRATION: CYANOSIS BEHAVIORAL: ATAXIA American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958. skin-rat LD50 300 mg/kg BEHAVIORAL: TREMOR LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION SKIN AND APPENDAGES (SKIN): PRIMARY IRRITATION: AFTER TOPICAL EXPOSURE American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958. | |
| Inhalation Toxicity: | |
|
inhalation-mouse LC50 28 ppm/4H SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958. inhalation-rat LC50 33 ppm/4H SENSE ORGANS AND SPECIAL SENSES: LACRIMATION: EYE BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION American Industrial Hygiene Association Journal. Vol. 19, Pg. 171, 1958. | |
Safety in Use Information:
| 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 | ||
| 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: 12 | |||
| Click here to view publication 12 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 5.30000 | |
| beverages(nonalcoholic): | - | 1.50000 | |
| beverages(alcoholic): | - | 3.70000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | 0.20000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 5.50000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | 2.50000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | 3.10000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | 5.50000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety References:
| European Food Safety Athority(EFSA): | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): | |
| Flavouring Group Evaluation 8 (FGE.08)[1]: Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical group 20 View page or View pdf | |
| Flavouring Group Evaluation 74 (FGE.74)[1]: Consideration of Simple Aliphatic Sulphides and Thiols evaluated by JECFA (61st meeting) Structurally related to Aliphatic and Alicyclic Mono-, Di-, Tri-, and Polysulphides with or without Additional Oxygenated Functional Groups from Chemical Group 20 evaluated by EFSA in FGE.08 (2008) View page or View pdf | |
| Flavouring Group Evaluation 8, Revision 1 (FGE.08Rev1): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf | |
| Flavouring Group Evaluation 91 (FGE.91): Consideration of simple aliphatic and aromatic sulphides and thiols evaluated by JECFA (53rd and 68th meetings) structurally related to aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups evaluated by EFSA in FGE.08Rev1 (2009) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 8, Revision 3 (FGE.08Rev3): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 08, Revision 4 (FGE.08Rev4): Aliphatic and alicyclic mono-, di-, tri-, and polysulphides with or without additional oxygenated functional groups from chemical groups 20 and 30 View page or View pdf | |
| EPI System: | View |
| NIOSH International Chemical Safety Cards: | search |
| NIOSH Pocket Guide: | search |
| Chemical Carcinogenesis Research Information System: | Search |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 108-98-5 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 7969 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 2337 |
| WGK Germany: | 3 |
| benzenethiol | |
| Chemidplus: | 0000108985 |
| EPA/NOAA CAMEO: | hazardous materials |
| RTECS: | 108-98-5 |
References:
| benzenethiol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 108-98-5 |
| Pubchem (cid): | 7969 |
| Pubchem (sid): | 134973506 |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB33746 |
| FooDB: | FDB011878 |
| Export Tariff Code: | 2930.90.2800 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| FAO: | Benzenethiol |
| Formulations/Preparations: grade: 99% | |
Potential Blenders and core components note
Potential Uses:
| coffee | FL | |
| garlic | FL | |
| meat | FL | |
| nut | FL | |
| onion | FL |
Occurrence (nature, food, other): note
| beef boiled beef Search PMC Picture | |
| clover red clover leaf Search Trop Picture | |
| cocoa roasted cocoa powder Search Trop Picture |
Synonyms:
| benzene thiol | |
| benzenethiol | |
| mercaptobenzene | |
| phenol, thio- | |
| phenyl thiol | |
| phenylmercaptan | |
| phenylsulfide | |
| thiophenol |