Articles:
4-chloro-2-isopropyl-5-methylphenol
Notes:
None found
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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): 03-22500 CHLOROTHYMOL
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| CAS Number: | 89-68-9 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 201-930-1 | |
| FDA UNII: | LJ25TI0CVT | |
| Nikkaji Web: | J4.306K | |
| Beilstein Number: | 2084453 | |
| MDL: | MFCD00002326 | |
| XlogP3: | 3.90 (est) | |
| Molecular Weight: | 184.66481000 | |
| Formula: | C10 H13 Cl O | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: cosmetic 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 |
| 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 |
| Melting Point: | 63.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 258.50 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.009000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 229.00 °F. TCC ( 109.50 °C. ) (est) |
| logP (o/w): | 3.920 |
| Soluble in: | |
| water, 1000 mg/L @ 25 °C (exp) | |
| water, 89.19 mg/L @ 25 °C (est) | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
antimicrobial agents antiplaque agents denaturants deodorants oral care agents |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| 6-Chlorothymol 95% |
| Carbosynth |
| For experimental / research use only. |
| (4)6-Chlorothymol |
| Penta International |
| CHLOROTHYMOL |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| 4-Chloro-2-isopropyl-5-methylphenol 98% |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| 4-Chloro-2-isopropyl-5-methylphenol 99% |
| TCI AMERICA |
| For experimental / research use only. |
| 4-Chloro-2-isopropyl-5-methylphenol >99.0%(GC) |
| Universal Preserv-A-Chem Inc. |
| Chlorothymol |
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: | |
|
subcutaneous-mouse LD50 2460 mg/kg PERIPHERAL NERVE AND SENSATION: SPASTIC PARALYSIS WITH OR WITHOUT SENSORY CHANGE Sapporo Igaku Zasshi. Sapporo Medical Journal. Vol. 3, Pg. 73, 1952. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | cosmetic agents | ||
| Recommendation for chlorothymol usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for chlorothymol 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): | 89-68-9 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 6982 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| 4-chloro-5-methyl-2-propan-2-ylphenol | |
| Chemidplus: | 0000089689 |
| RTECS: | XP2620000 for cas# 89-68-9 |
References:
| 4-chloro-5-methyl-2-propan-2-ylphenol | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 89-68-9 |
| Pubchem (cid): | 6982 |
| Pubchem (sid): | 134972988 |
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 |
| KEGG (GenomeNet): | D07681 |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2908.99.9000 |
| ChemSpider: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| antimicrobial agents | ||
| denaturants | ||
| deodorants | ||
| oral care agents |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| 4- | chloro-2-isopropyl-5-methyl phenol |
| 4- | chloro-2-isopropyl-5-methylphenol |
| 6- | chloro-4-isopropyl-1-methyl-3-phenol |
| 4- | chloro-5-methyl-2-(1-methyl ethyl) phenol |
| 4- | chloro-5-methyl-2-(1-methylethyl)phenol |
| 4- | chloro-5-methyl-2-(methylethyl)phenol |
| 4- | chloro-5-methyl-2-(propan-2-yl)phenol |
| 4- | chloro-5-methyl-2-propan-2-ylphenol |
| 4- | chloro-6-isopropyl-3-methyl phenol |
| 4- | chloro-6-isopropyl-3-methylphenol |
| 4- | chlorothymol |
| 6- | chlorothymol |
| mono | chlorothymol |
| 6- | chorothymol |
| 1- | methyl-3-hydroxy-4-isopropyl-6-chlorobenzene |
| phenol, 4-chloro-5-methyl-2-(1-methylethyl)- | |
| 2-iso | propyl-4-chloro-5-methylphenol |
| thymol, 6-chloro- |