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3-tolylacetic acid
Notes:
3-Methylphenylacetic acid is a hydroaromatic dicarboxylic acids excreted in the urine as metabolite of tolueneacetic acid (PMID 13548876), itself a metabolite of common herbicides (PMID 6660505) [HMDB]
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| CAS Number: | 621-36-3 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 210-683-9 | |
| Nikkaji Web: | J134.781K | |
| MDL: | MFCD00004340 | |
| XlogP3: | 1.90 (est) | |
| Molecular Weight: | 150.17710000 | |
| Formula: | C9 H10 O2 | |
| 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 |
Physical Properties:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Soluble in: | |
| water, 4065 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| m-Tolylacetic acid ca. 98% |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| m-Tolylacetic Acid |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| m-Tolylacetic acid 99% |
| TCI AMERICA |
| For experimental / research use only. |
| m-Tolylacetic Acid >98.0%(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: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | information only not used for fragrances or flavors | ||
| Recommendation for meta-tolyl acetic acid usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for meta-tolyl acetic acid flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 12121 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| 2-(3-methylphenyl)acetic acid | |
| Chemidplus: | 0000621363 |
References:
| 2-(3-methylphenyl)acetic acid | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 12121 |
| Pubchem (cas): | 621-36-3 |
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 |
| CHEBI: | View |
| CHEMBL: | View |
| HMDB (The Human Metabolome Database): | HMDB02222 |
| FooDB: | FDB022916 |
| Export Tariff Code: | 2916.39.7900 |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| benzeneacetic acid, 3-methyl- | |
| 2-(3- | methylphenyl)acetic acid |
| 3- | methylphenylacetic acid |
| m- | methylphenylacetic acid |
| 3- | tolylacetic acid |
| m- | tolylacetic acid |