Articles:
| PubMed: | Spectroscopic investigation, natural bond orbital analysis, HOMO-LUMO and thermodynamic functions of 2-tert-butyl-5-methyl anisole using DFT (B3LYP) calculations. |
anisole, 2-tert-butyl-5-methyl-
Notes:
None found
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Tadimety Aromatics Private Limited A Global Brand Manufacturing more than 70+ speciality aroma chemicals. Tadimety Aromatics Pvt Ltd was founded in the year 1996. Madhu Chakrapani Rao with a couple of like-minded people began the operation of the company in a small facility totalling 2000 sq ft. Like most start-up companies Tadimety Aromatics underwent difficult times during first few years. The company ability to overcome initial obstacles and its current success can be attributed in part to Madhu Chakrapani Rao’s early decision to focus on core organic chemistry and manufacture speciality aroma chemicals for customers specific requirements. Email: Info Email: Sales Voice: +91 80 2837 0359 Fax: +91 80 2837 9939 Facebook Twitter Linkedin Google+ Blog Vison and Mission Philosophy and Values Product(s): NOTFOUND3 Leatherinol
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| CAS Number: | 88-40-4 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 201-827-1 | |
| FDA UNII: | PZP00ZS37E | |
| Nikkaji Web: | J59.947F | |
| XlogP3: | 3.50 (est) | |
| Molecular Weight: | 178.27466000 | |
| Formula: | C12 H18 O | |
| 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:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.93300 @ 25.00 °C. |
| Refractive Index: | 1.50200 @ 20.00 °C. |
| Boiling Point: | 223.00 to 225.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.137000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 194.00 °F. TCC ( 90.00 °C. ) |
| logP (o/w): | 4.758 (est) |
| Soluble in: | |
| water, 7.586 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
| Tadimety Aromatics | |
| Leatherinol | |
| Odor Description: | Leathery, spicy, Animalic, Phenolic with subtle Musk Ambrette-like nuances |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| Tadimety Aromatics |
| Leatherinol
Odor: Leathery, spicy, Animalic, Phenolic with subtle Musk Ambrette-like nuances |
Safety Information:
| 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: | cosmetic fragrance agents and aromatic raw materials | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for 2-tert-butyl-5-methyl anisole 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): | 88-40-4 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 66615 |
| National Institute of Allergy and Infectious Diseases: | Data |
| 1-tert-butyl-2-methoxy-4-methylbenzene | |
| Chemidplus: | 0000088404 |
References:
| 1-tert-butyl-2-methoxy-4-methylbenzene | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 88-40-4 |
| Pubchem (cid): | 66615 |
| Pubchem (sid): | 135025933 |
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 |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2909.30.5000 |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| anisole, 2-tert-butyl-5-methyl- | |
| benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl- | |
| 1-tert- | butyl-2-methoxy-4-methylbenzene |
| 2-tert- | butyl-5-methylanisole |
| leatherinol (Tadimety) |