Articles:
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(1-methylethyl)benzene
Notes:
Trace constit. of ginger oil (Zingiber officinale)
Cumene is the common name for isopropylbenzene, an organic compound that is an aromatic hydrocarbon. It is a constituent of crude oil and refined fuels. It is a flammable colorless liquid that has a boiling point of 152 °C. Nearly all the cumene that is produced as a pure compound on an industrial scale is converted to cumene hydroperoxide, which is an intermediate in the synthesis of other industrially important chemicals such as phenol and acetone.
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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): 03-59000 CUMENE
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| CAS Number: | 98-82-8 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 202-704-5 | |
| FDA UNII: | 8Q54S3XE7K | |
| Nikkaji Web: | J3.581E | |
| Beilstein Number: | 1236613 | |
| MDL: | MFCD00008881 | |
| XlogP3: | 3.70 (est) | |
| Molecular Weight: | 120.19464000 | |
| Formula: | C9 H12 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: natural substances and extractives
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 |
| FDA/DG SANTE Petitions, Reviews, Notices: | |
| FR DOC # 2012-4164 | International Conference on Harmonisation; Final Recommendation for the Revision of the Permitted Daily Exposure for the Solvent Cumene According to the Maintenance Procedures for the Guidance Q3C Impurities: Residual So View - petition PDF |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.86400 @ 25.00 °C. |
| Refractive Index: | 1.48460 @ 20.00 °C. |
| Boiling Point: | 152.00 to 153.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 4.500000 mmHg @ 25.00 °C. |
| Flash Point: | 115.00 °F. TCC ( 46.11 °C. ) |
| logP (o/w): | 3.660 |
| Soluble in: | |
| alcohol | |
| water, 61.3 mg/L @ 25 °C (exp) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Penta International |
| CUMENE |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Cumene |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| Cumene 98% |
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: | |
|
oral-rat LD50 1400 mg/kg GASTROINTESTINAL: GASTRITIS AMA Archives of Industrial Health. Vol. 14, Pg. 387, 1956. oral-mouse LD50 12750 mg/kg Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 36(9), Pg. 18, 1971. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 12300 ul/kg AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951. | |
| Inhalation Toxicity: | |
|
inhalation-mouse LC50 10000 mg/m3/7H BLOOD: CHANGES IN SPLEEN LIVER: MULTIPLE EFFECTS KIDNEY, URETER, AND BLADDER: CHANGES IN BOTH TUBULES AND GLOMERULI Journal of Industrial Hygiene and Toxicology. Vol. 26, Pg. 264, 1944. inhalation-human TCLo 200 ppm BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: ANTIPSYCHOTIC BEHAVIORAL: IRRITABILITY "Handbook of Organic Industrial Solvents," 2nd ed., Chicago, National Assoc. of Mutual Casualty Companies, 1961Vol. 2, Pg. 39, 1961. inhalation-rat LCLo 8000 ppm/4H AMA Archives of Industrial Hygiene and Occupational Medicine. Vol. 4, Pg. 119, 1951. | |
Safety in Use Information:
| Category: | natural substances and extractives | ||
| Recommendation for cumene usage levels up to: | |||
| not for fragrance use. | |||
| Recommendation for cumene flavor usage levels up to: | |||
| not for flavor use. | |||
Safety References:
| EPI System: | View |
| EPA-Iris: | IRIS |
| 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 GENetic TOXicology: | Search |
| EPA Substance Registry Services (TSCA): | 98-82-8 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 7406 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 1918 |
| WGK Germany: | 1 |
| cumene | |
| Chemidplus: | 0000098828 |
| EPA/NOAA CAMEO: | hazardous materials |
| RTECS: | 98-82-8 |
References:
| cumene | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 98-82-8 |
| Pubchem (cid): | 7406 |
| Pubchem (sid): | 134971461 |
| Pherobase: | View |
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 |
| KEGG (GenomeNet): | C14396 |
| HMDB (The Human Metabolome Database): | HMDB34029 |
| FooDB: | FDB012268 |
| Export Tariff Code: | 2902.70.0000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
| Formulations/Preparations: •grades: technical; research; pure •0.16% wt in gasoline •99.9% min assay | |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| cumin oil replacer | FR | |
| thyme oil white replacer | FR |
Occurrence (nature, food, other): note
| cinnamon ceylon cinnamon bark Search Trop Picture | |
| cumin oil Search Trop Picture | |
| cumin seed Search Trop Picture | |
| eucalyptus globulus oil pakistan @ trace% Data GC Search Trop Picture | |
| ginger root Search Trop Picture | |
| thyme oil Search Trop Picture |
Synonyms:
| benzene, (1-methylethyl)- | |
| benzene, 1-methylethyl- | |
| benzene, isopropyl | |
| ( | methylethyl)benzene |
| (1- | methylethyl)benzene |
| 2- | phenylpropane |
| ( | propan-2-yl)benzene |
| iso | propylbenzene |