Articles:
1-mercapto-4-methylbenzene
Notes:
None found
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| CAS Number: | 106-45-6 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 203-399-1 | |
| FDA UNII: | 6L2WW9XYZO | |
| Nikkaji Web: | J5.051B | |
| Beilstein Number: | 0605761 | |
| MDL: | MFCD00004851 | |
| XlogP3: | 2.90 (est) | |
| Molecular Weight: | 124.20576000 | |
| Formula: | C7 H8 S | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: information only not used for fragrances or flavors
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 |
| Google Patents: | Search |
| US Patents: | Search |
| EU Patents: | Search |
| Pubchem Patents: | Search |
| PubMed: | Search |
| NCBI: | Search |
Physical Properties:
| Appearance: | white leaflets (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 43.00 to 44.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 195.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.807000 mmHg @ 25.00 °C. |
| Flash Point: | 155.00 °F. TCC ( 68.33 °C. ) |
| logP (o/w): | 2.980 (est) |
| Soluble in: | |
| alcohol | |
| water, 167.9 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Flavor Type: burnt | |
| burnt green fatty | |
| Taste Description: | burnt green fatty |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| EMD Millipore |
| For experimental / research use only. |
| 4-Methylthiophenol |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| p-Thiocresol |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 4-Methylbenzenethiol 98% |
| TCI AMERICA |
| For experimental / research use only. |
| p-Toluenethiol >97.0%(GC)(T) |
Safety Information:
| Preferred SDS: View | |
| 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 | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | information only not used for fragrances or flavors | ||
| Recommendation for para-thiocresol usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for para-thiocresol flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 106-45-6 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 7811 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| 4-methylbenzenethiol | |
| Chemidplus: | 0000106456 |
| RTECS: | XT8925000 for cas# 106-45-6 |
References:
| 4-methylbenzenethiol | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 7811 |
| Pubchem (sid): | 134971769 |
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 |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2930.90.2900 |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| 1- | mercapto-4-methylbenzene |
| 4- | mercaptotoluene |
| 4- | methyl benzene thiol |
| 4- | methyl phenyl mercaptan |
| 4- | methyl thiophenol |
| 4- | methyl-benzenethiol |
| 4- | methylbenzenethiol |
| 4- | methylphenyl mercaptan |
| 4- | methylphenylmercaptan |
| 4- | methylthiophenol |
| 4- | thiocresol |
| p- | thiocresol |
| 4- | toluene thiol |
| para- | toluene thiol |
| toluene-4-thiol | |
| 4- | toluenethiol |
| para- | toluenethiol |