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benzoic acid, 4-methyl-, methyl ester
Notes:
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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): 13-54900 METHYL-P-METHYLBENZOATE
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Synerzine, Inc. Innovation. Customization. Aroma Ingredients. Synerzine is a leading supplier of flavor and fragrance ingredients. Synerzine expresses what we have grown to embody as an organization - the synergy and connection between raw ingredients, science, technology, and the final product. Our experienced team is passionate about bringing our customers high-quality innovative ingredients that they can trust. Building upon our 44 year history, the Synerzine team provides customers around the globe with convenient access to over 1200 high-quality aroma ingredients. We actively engage with customers to add a wide array of new products and services on a regular basis. Our aim is to delight every customer with our exceptional services, large product selection, customization and the highest quality and safety standards. We provide our customers with true value designed to help them bring their products to market faster. US Email: Customer Service US Email: Sales US Voice: (404) 524-6744 US Fax: (404) 577-1651 Inquiry Products List: View Product(s): W1372 Methyl p-toluate
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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): T0297 Methyl p-Toluate >98.0%(GC)
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| CAS Number: | 99-75-2 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 202-784-1 | |
| FDA UNII: | 964JP0ZZRG | |
| Nikkaji Web: | J45.106A | |
| Beilstein Number: | 1100609 | |
| MDL: | MFCD00008441 | |
| XlogP3: | 2.70 (est) | |
| Molecular Weight: | 150.17710000 | |
| Formula: | C9 H10 O2 | |
| BioActivity Summary: | listing | |
| NMR Predictor: | Predict (works with chrome, Edge 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 |
| DG SANTE Food Flavourings: | 09.631 methyl 4-methylbenzoate |
Physical Properties:
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Melting Point: | 33.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 421.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 103.00 to 104.00 °C. @ 15.00 mm Hg |
| Vapor Pressure: | 0.101000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | 4.7 ( Air = 1 ) |
| Flash Point: | 195.00 °F. TCC ( 90.56 °C. ) |
| logP (o/w): | 2.700 |
| Soluble in: | |
| alcohol | |
| water, 374.5 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: anisic | |
| sweet anisic floral ylang | |
| Odor Description: at 100.00 %. | sweet anisic floral ylang |
| 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. |
| Methyl 4-methylbenzoate > 95% |
| EMD Millipore |
| For experimental / research use only. |
| Methyl 4-methylbenzoate |
| Penta International |
| METHYL-P-METHYLBENZOATE |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| Methyl p-toluate |
| Sigma-Aldrich: Aldrich |
| For experimental / research use only. |
| Methyl p-toluate ≥99% |
| Synerzine |
| Methyl p-toluate |
| TCI AMERICA |
| For experimental / research use only. |
| Methyl p-Toluate >98.0%(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: | |
|
intraperitoneal-mouse LD50 1250 mg/kg "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 87, 1982. oral-rat LD50 3300 mg/kg (Moreno, 1977aa) gavage-rat LD50 [sex: M] 2987 mg/kg (Dashiell & Hinckle, 1981) oral-mammal (species unspecified) LD50 3800 mg/kg Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 39(4), Pg. 86, 1974. oral-mouse LD50 3800 mg/kg "Toxicometric Parameters of Industrial Toxic Chemicals Under Single Exposure," Izmerov, N.F., et al., Moscow, Centre of International Projects, GKNT, 1982Vol. -, Pg. 87, 1982. oral-rat LD50 3300 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 873, 1979. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 873, 1979. | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavor and fragrance agents | ||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.0012 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 3900 (μg/person/day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| Structure Class: | I | ||
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 7.00000 | 35.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 5.00000 | 25.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 10.00000 | 50.00000 | |
| Processed fruit (04.1): | 7.00000 | 35.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 10.00000 | 50.00000 | |
| Chewing gum (05.0): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 5.00000 | 25.00000 | |
| Bakery wares (07.0): | 10.00000 | 50.00000 | |
| Meat and meat products, including poultry and game (08.0): | 2.00000 | 10.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 2.00000 | 10.00000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 5.00000 | 25.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | 10.00000 | 50.00000 | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 5.00000 | 25.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 10.00000 | 50.00000 | |
| Ready-to-eat savouries (15.0): | 20.00000 | 100.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 5.00000 | 25.00000 | |
Safety References:
| European Food Safety Athority(EFSA): | Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies... |
| European Food Safety Authority (EFSA) reference(s): | |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) on a request from the Commission related to Flavouring Group Evaluation 20 (FGE.20): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical group 23 View page or View pdf | |
| Flavouring Group Evaluation 52 (FGE.52): Consideration of hydroxy- and alkoxy-substituted benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters evaluated by EFSA in FGE.20 (2005) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf | |
| Flavouring Group Evaluation 54 (FGE.54)[1] - Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20 (2005) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf | |
| Flavouring Group Evaluation 20, Revision 1 (FGE.20Rev1): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters from chemical group 23 View page or View pdf | |
| Flavouring Group Evaluation 54, Revision 1 (FGE.54Rev1): Consideration of benzyl derivatives evaluated by JECFA (57th meeting) structurally related to benzyl alcohols, benzaldehydes, a related acetal, benzoic acids and related esters evaluated by EFSA in FGE.20Rev1 (2009) View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 2 (FGE.20Rev2): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 3(FGE.20Rev3): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 20, Revision 4 (FGE.20Rev4): Benzyl alcohols, benzaldehydes, a related acetal, benzoic acids, and related esters from chemical groups 23 and 30 View page or View pdf | |
| EPI System: | View |
| Chemical Carcinogenesis Research Information System: | Search |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 99-75-2 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 7455 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| methyl 4-methylbenzoate | |
| Chemidplus: | 0000099752 |
| EPA/NOAA CAMEO: | hazardous materials |
| RTECS: | XU2150000 for cas# 99-75-2 |
References:
| methyl 4-methylbenzoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 99-75-2 |
| Pubchem (cid): | 7455 |
| Pubchem (sid): | 134972054 |
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: | 2916.39.7900 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
| For Odor | ||
| animal | ||
| ethyl 4-methyl salicylate | FL/FR | |
| anisic | ||
| sweet | basil flower oil | FR |
| 3- | pentyl bicyclo[3.2.1]octan-2-one | FR |
| floral | ||
| para- | anisyl butyrate | FL/FR |
| ethyl ortho-anisate | FL/FR | |
| hawthorn acetate | FR | |
| linalool residues | FR | |
| linalyl acetate terpenes | FR | |
| tuberose acetate | FR | |
| fruity | ||
| ginsene | FR | |
| herbal | ||
| american | elder flower absolute | FR |
| phenolic | ||
| methyl benzoate | FL/FR | |
| spicy | ||
| homo | anisaldehyde | FL/FR |
| For Flavor | ||
| No flavor group found for these | ||
| homo | anisaldehyde | FL/FR |
| ethyl 4-methyl salicylate | FL/FR | |
| ethyl ortho-anisate | FL/FR | |
| anisic | ||
| para- | anisyl butyrate | FL/FR |
| phenolic | ||
| methyl benzoate | FL/FR | |
Potential Uses:
| None Found |
Occurrence (nature, food, other): note
| loganberry fruit Search Trop Picture | |
| ternstroemia gymnanthera Search Trop Picture |
Synonyms:
| benzoic acid, 4-methyl-, methyl ester | |
| p- | carbomethoxytoluene |
| para- | carbomethoxytoluene |
| 4-( | methoxycarbonyl) toluene |
| 4-( | methoxycarbonyl)toluene |
| methyl 4-methyl benzoate | |
| methyl 4-methylbenzoate | |
| methyl 4-toluate | |
| 4- | methyl benzoic acid methyl ester |
| methyl p-methyl benzoate | |
| methyl p-methylbenzoate | |
| methyl p-toluate | |
| methyl p-toluene carboxylate | |
| methyl p-toluenecarboxylate | |
| methyl para-methyl benzoate | |
| methyl para-methylbenzoate | |
| methyl para-toluate | |
| methyl para-toluene carboxylate | |
| methyl para-toluenecarboxylate | |
| methyl-p-toluate | |
| 4- | methylbenzoic acid methyl ester |
| p- | toluic acid methyl ester |
| p- | toluic acid, methyl ester |