Articles:
phenol, 2-(1,1-dimethylethyl)-6-methyl-
Notes:
None found
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| CAS Number: | 2219-82-1 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 218-734-7 | |
| FDA UNII: | LT9E3VZD1C | |
| Nikkaji Web: | J79.089C | |
| Beilstein Number: | 1862362 | |
| MDL: | MFCD00002239 | |
| XlogP3: | 3.60 (est) | |
| Molecular Weight: | 164.24772000 | |
| Formula: | C11 H16 O | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: fragrance 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 |
Physical Properties:
| Appearance: | pale yellow clear liquid (est) |
| Assay: | 99.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.96700 @ 25.00 °C. |
| Refractive Index: | 1.51900 @ 20.00 °C. |
| Melting Point: | 30.00 to 32.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 230.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.053000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 225.00 °F. TCC ( 107.22 °C. ) |
| logP (o/w): | 3.773 (est) |
| Soluble in: | |
| alcohol | |
| water, 101.3 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: leathery | |
| Odor Strength: | high , recommend smelling in a 1.00 % solution or less |
| Substantivity: | 92 hour(s) at 10.00 % in dipropylene glycol |
| phenolic leathery medicinal | |
| Odor Description: at 100.00 %. | cresol phenolic leather medicinal Luebke, William tgsc, (2001) |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| 2-tert-Butyl-6-methylphenol 95% |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 6-tert-Butyl-o-cresol |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 2-tert-Butyl-6-methylphenol 99% |
| TCI AMERICA |
| For experimental / research use only. |
| 2-tert-Butyl-6-methylphenol >95.0%(GC) |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| C - Corrosive. | |
|
R 34 - Causes burns. R 36/37/38 - Irritating to eyes, respiratory system, and skin. 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 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: | |
|
intravenous-mouse LD50 120 mg/kg BEHAVIORAL: SLEEP Journal of Medicinal Chemistry. Vol. 23, Pg. 1350, 1980. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for 2-tert-butyl-6-methyl phenol usage levels up to: | |||
| 0.0200 % in the fragrance concentrate. | |||
| Recommendation for 2-tert-butyl-6-methyl phenol 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): | 2219-82-1 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 16678 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 2430 |
| WGK Germany: | 3 |
| 2-tert-butyl-6-methylphenol | |
| Chemidplus: | 0002219821 |
| RTECS: | SK1578200 for cas# 2219-82-1 |
References:
| 2-tert-butyl-6-methylphenol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 2219-82-1 |
| Pubchem (cid): | 16678 |
| Pubchem (sid): | 134983181 |
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: | 2933.69.6050 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| citrus | FR | |
| fruit | FR | |
| grapefruit | FR | |
| leather | FR | |
| waxy |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| 2-tert- | butyl-2-methylphenol |
| 6-t- | butyl-2-methylphenol |
| 6-tert- | butyl-2-methylphenol |
| 2-tert- | butyl-6-methyl-phenol |
| 2-tert- | butyl-6-methylphenol |
| 6-tert- | butyl-o-cresol |
| o-tert- | butyl-o-cresol |
| 6-tert- | butyl-ortho-cresol |
| 6-(tert- | butyl)-2-methylphenol |
| o- | cresol, 6-tert-butyl- |
| 2-(1,1- | dimethylethyl)-6-methylphenol |
| 2- | methyl-6-tert-butyl phenol |
| phenol, 2- (1,1-dimethylethyl)-6-methyl- | |
| phenol, 2-(1,1-dimethylethyl)-6-methyl- | |
| phenol, 2-t-butyl-6-methyl- | |
| phenol, 2-tert-butyl-6-methyl- |