Articles:
benzene, 1-(1,1-dimethylethyl)-4-methyl-
Notes:
None found
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BOC Sciences Best of Chemicals Supplier Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds. BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services. BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies. Email: Marketing US Email: Marketing Email: Sales US Email: Sales Voice: 1-631-485-4226 Fax: 1-631-614-7828 US Voice: 1-631-485-4226 US Fax: 1-631-614-7828 Europe 44-203-286-1088 Facebook Twitter Linkedin Blog Get the App! Product(s): 98-51-1 p-tert-butyl toluene 98%
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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): 02-69490 4-TERT-BUTYLTOLUENE
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TCI AMERICA Moving Your Chemistry Forward We continuously strive to advance our technology. With East & West Coast distribution centers, count on TCI to deliver products quickly and reliably. Over 30,000 Reagents available today in benchtop to bulk quantities. We also offer custom synthesis solutions. Sign up for a TCI account today for fast and free shipping! Tokyo Chemical Industry Co., Ltd. (TCI) is a leading worldwide manufacturer of specialty organic chemicals founded in 1946. TCI provides organic laboratory chemicals as well as pharmaceutical, cosmetic and functional materials. More than 70 years of synthesis experience and multi-purpose plants enable TCI to offer more than 30,000 products as well as custom synthesis. US Email: Sales Email: Technical Support Voice: 1-800-423-8616 Fax: 1- 888-520-1075 Facebook Twitter Instagram Linkedin Product(s): B0744 4-tert-Butyltoluene >95.0%(GC)
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| CAS Number: | 98-51-1 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 202-675-9 | |
| FDA UNII: | 589519D43L | |
| Nikkaji Web: | J54.420E | |
| Beilstein Number: | 2038670 | |
| MDL: | MFCD00008837 | |
| XlogP3: | 4.50 (est) | |
| Molecular Weight: | 148.24852000 | |
| Formula: | C11 H16 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: cosmetic fragrance agents and aromatic raw materials
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: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.86100 to 0.86400 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 7.173 to 7.198 |
| Refractive Index: | 1.49000 to 1.49200 @ 20.00 °C. |
| Melting Point: | -52.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 190.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.646000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 130.00 °F. TCC ( 54.00 °C. ) |
| logP (o/w): | 5.170 |
| Soluble in: | |
| alcohol | |
| water, 2.969 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| p-tert-butyl toluene 98% |
| EMD Millipore |
| For experimental / research use only. |
| 4-tert-Butyltoluene |
| Penta International |
| 4-TERT-BUTYLTOLUENE |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 4-tert-Butyltoluene |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 4-tert-Butyltoluene 95% |
| TCI AMERICA |
| For experimental / research use only. |
| 4-tert-Butyltoluene >95.0%(GC) |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn N - Harmful, Dangerous for the environment. | |
|
R 10 - Flammable. R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R 36/37/38 - Irritating to eyes, respiratory system, and skin. R 52/53 - Harmful to qauatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. 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. 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: | |
|
oral-rat LD50 1555 mg/kg LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: ATAXIA BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 9, Pg. 227, 1954. oral-rabbit LD50 1728 mg/kg BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 9, Pg. 227, 1954. oral-mouse LD50 778 mg/kg LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: ATAXIA AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 9, Pg. 227, 1954. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 16934 mg/kg BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: TREMOR AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 9, Pg. 227, 1954. | |
| Inhalation Toxicity: | |
|
inhalation-rat LC50 165 ppm/8H SENSE ORGANS AND SPECIAL SENSES: OTHER CHANGES: OLFACTION LUNGS, THORAX, OR RESPIRATION: DYSPNEA GASTROINTESTINAL: CHANGES IN STRUCTURE OR FUNCTION OF SALIVARY GLANDS AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 9, Pg. 227, 1954. inhalation-mouse LC50 248 ppm/4H BEHAVIORAL: EXCITEMENT PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 9, Pg. 227, 1954. inhalation-human TCLo 10 ppm/3M GASTROINTESTINAL: NAUSEA OR VOMITING AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 9, Pg. 227, 1954. inhalation-human TCLo 20 ppm/5M SENSE ORGANS AND SPECIAL SENSES: CONJUNCTIVE IRRITATION: EYE SENSE ORGANS AND SPECIAL SENSES: CHANGE IN FUNCTION: TASTE GASTROINTESTINAL: NAUSEA OR VOMITING "Toxicology and Biochemistry of Aromatic Hydrocarbons," Gerarde, H., New York, Elsevier, 1960Vol. -, Pg. 156, 1960. | |
Safety in Use Information:
| Category: | cosmetic fragrance agents and aromatic raw materials | ||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for 4-tert-butyl toluene usage levels up to: | |||
| 0.0100 % in the fragrance concentrate. | |||
| Recommendation for 4-tert-butyl toluene flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| 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): | 98-51-1 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 7390 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 2667 |
| WGK Germany: | 3 |
| 1-tert-butyl-4-methylbenzene | |
| Chemidplus: | 0000098511 |
| EPA/NOAA CAMEO: | hazardous materials |
| RTECS: | 98-51-1 |
References:
| 1-tert-butyl-4-methylbenzene | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 98-51-1 |
| Pubchem (cid): | 7390 |
| Pubchem (sid): | 134971301 |
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: | 2902.90.9000 |
| ChemSpider: | View |
| Formulations/Preparations: grade: technical | |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| benzene, 1-(1,1-dimethylethyl)-4-methyl- | |
| 4-tert- | butyl-1-methylbenzene |
| 1-tert- | butyl-4-methylbenzene |
| 4-(tert- | butyl)-1-methylbenzene |
| p-(t- | butyl)toluene |
| 4-t- | butyltoluene |
| 4-tert- | butyltoluene |
| p-t- | butyltoluene |
| p-tert- | butyltoluene |
| 1-(1,1- | dimethylethyl)-4-methylbenzene |
| 1- | methyl-4-(2-methyl-2-propanyl)benzene |
| 1- | methyl-4-tert-butyl benzene |
| 1- | methyl-4-tert-butylbenzene |
| 8- | methyl-p-cymene |
| 8- | methyl-para-cymene |
| 4- | methyl-tert-butyl benzene |
| p- | methyl-tert-butyl benzene |
| para- | methyl-tert-butyl benzene |
| 4- | methyl-tert-butylbenzene |
| PTBT | |
| p- | TBT |
| toluene, p-t-butyl- | |
| toluene, p-tert-butyl- |