Articles:
3-methylisopropylbenzene
Notes:
Present in oil of Ribes nigrum (blackcurrant)
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| CAS Number: | 535-77-3 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 208-617-9 | |
| FDA UNII: | 10ZH8R921S | |
| Nikkaji Web: | J43.515E | |
| Beilstein Number: | 1851357 | |
| MDL: | MFCD00008891 | |
| XlogP3: | 4.00 (est) | |
| Molecular Weight: | 134.22158000 | |
| Formula: | C10 H14 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
Category: flavor and 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: | colorless to pale yellow clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 174.00 to 176.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 1.720000 mmHg @ 25.00 °C. |
| Flash Point: | 118.00 °F. TCC ( 47.80 °C. ) (est) |
| logP (o/w): | 4.500 |
| Soluble in: | |
| alcohol | |
| water, 42.5 mg/L @ 25 °C (exp) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| BOC Sciences |
| For experimental / research use only. |
| m-CYMENE >99.0%(GC) |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| m-Cymene |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| m-Cymene 99% |
| TCI AMERICA |
| For experimental / research use only. |
| m-Cymene >99.0%(GC) |
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 2970 mg/kg BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(12), Pg. 57, 1986. oral-mouse LD50 3272 mg/kg BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(12), Pg. 57, 1986. intraperitoneal-mouse LD50 1198 mg/kg BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(12), Pg. 57, 1986. | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
|
inhalation-mouse LC50 12000 mg/m3 BEHAVIORAL: MUSCLE WEAKNESS BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 30(12), Pg. 57, 1986. | |
Safety in Use Information:
| Category: | flavor and fragrance agents | ||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
Safety References:
| EPI System: | View |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 535-77-3 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 10812 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 1-methyl-3-propan-2-ylbenzene | |
| Chemidplus: | 0000535773 |
| RTECS: | DA6127310 for cas# 535-77-3 |
References:
| 1-methyl-3-propan-2-ylbenzene | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 10812 |
| Pubchem (sid): | 134977417 |
| 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 |
| HMDB (The Human Metabolome Database): | HMDB37051 |
| FooDB: | FDB016033 |
| Export Tariff Code: | 2902.90.2000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| Wikipedia: | View |
Potential Blenders and core components note
| None Found | ||
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| basil oil Search Trop Picture | |
| basil plant Search Trop Picture | |
| cassis bud oil @ trace-0.17% Data GC Search Trop Picture | |
| currant black currant fruit Search Trop Picture | |
| currant black currant leaf Search Trop Picture | |
| ferula cupularis flower oil @ 5.21% Data GC Search Trop Picture | |
| gynandropsis gynandra Search Trop Picture | |
| orange oil Search Trop Picture | |
| petitgrain bigarade oil @ 0.50% Data GC Search Trop Picture | |
| plumcot fruit Search PMC Picture | |
| radix angelicae pubescentis Search Trop Picture | |
| senecio vernalis waldst. & kit. Search Trop Picture | |
| ulva rigida oil greece @ 15.00% Data GC Search PMC Picture |
Synonyms:
| benzene, 1-methyl-3-(1-methylethyl)- | |
| beta- | cymene |
| m- | cymene |
| beta- | cymol |
| m- | cymol |
| meta- | methyl isopropyl benzene |
| 3- | methyl-1-(methylethyl)benzene |
| 1- | methyl-3-(1-methyl ethyl) benzene |
| 1- | methyl-3-(1-methylethyl)benzene |
| 1- | methyl-3-isopropylbenzene |
| 1- | methyl-3-propan-2-ylbenzene |
| 3- | methylisopropylbenzene |
| m- | methylisopropylbenzene |
| 3-iso | propyl toluene |
| meta-iso | propyl toluene |
| 1-iso | propyl-3-methylbenzene |
| 3-iso | propyltoluene |
| m-iso | propyltoluene |