ortho-cresyl isobutyrate
o-tolyl isobutyrate

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  BOC Sciences

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  36438-54-7 ortho-Cresyl Isobutyrate

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  Penta International Corporation

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  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.
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  20-60700 O-TOLYL ISOBUTYRATE

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  Synerzine, Inc.

  Innovation. Customization. Aroma Ingredients.
  Synerzine is a leading supplier of flavor and fragrance ingredients.
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  Product(s):
  W1777 o-Tolyl Isobutyrate

Name: (2-methylphenyl) 2-methylpropanoate CAS Number: 36438-54-7 3D/inchi FDA UNII: X2ORQ6I00S Nikkaji Web: J1.539.191J MDL: MFCD00209539 CoE Number: 681 XlogP3: 2.70 (est) Molecular Weight: 178.23098000 Formula: C11 H14 O2 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 JECFA Food Flavoring: 700 o-tolyl isobutyrate DG SANTE Food Flavourings: 09.480 o-tolyl isobutyrate FEMA Number: 3753 o-tolyl isobutyrate FDA: No longer provide for the use of these seven synthetic flavoring substances FDA Mainterm (SATF): 36438-54-7 ; O-TOLYL ISOBUTYRATE   Physical Properties: Appearance: colorless clear liquid (est) Assay: 98.00 to 100.00 Food Chemicals Codex Listed: No Specific Gravity: 1.00000 to 1.00700 @ 25.00 °C. Pounds per Gallon - (est).: 8.321 to 8.379 Refractive Index: 1.48200 to 1.48800 @ 20.00 °C. Boiling Point: 107.00 to 108.00 °C. @ 8.00 mm Hg Boiling Point: 238.00 to 239.00 °C. @ 760.00 mm Hg Vapor Pressure: 0.039000 mmHg @ 25.00 °C. (est) Flash Point: 203.00 °F. TCC ( 95.00 °C. ) logP (o/w): 2.872 (est) Soluble in:   alcohol   water, 140.7 mg/L @ 25 °C (est) Insoluble in:   water   Organoleptic Properties: Odor Type: phenolic phenolic berry medicinal Odor Description:at 0.10 % in dipropylene glycol. phenolic berry medical Odor and/or flavor descriptions from others (if found).   Cosmetic Information: None found   Suppliers: BOC Sciences For experimental / research use only. ortho-Cresyl Isobutyrate Parchem ortho-cresyl isobutyrate Penta International O-TOLYL ISOBUTYRATE Synerzine o-Tolyl Isobutyrate   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: 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 Recommendation for ortho-cresyl isobutyrate usage levels up to:   0.3000 % in the fragrance concentrate.   Maximised Survey-derived Daily Intakes (MSDI-EU): 0.024 (μg/capita/day) Maximised Survey-derived Daily Intakes (MSDI-USA): 0.10 (μg/capita/day) Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS). The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library publication number: 14 Click here to view publication 14   average usual ppm average maximum ppm baked goods: - 9.00000 beverages(nonalcoholic): - 8.00000 beverages(alcoholic): - - breakfast cereal: - - cheese: - - chewing gum: - - condiments / relishes: - - confectionery froastings: - - egg products: - - fats / oils: - - fish products: - - frozen dairy: - 8.00000 fruit ices: - - gelatins / puddings: - 8.00000 granulated sugar: - - gravies: - - hard candy: - - imitation dairy: - - instant coffee / tea: - - jams / jellies: - - meat products: - - milk products: - - nut products: - - other grains: - - poultry: - - processed fruits: - - processed vegetables: - - reconstituted vegetables: - - seasonings / flavors: - - snack foods: - - soft candy: - 8.00000 soups: - - sugar substitutes: - - sweet sauces: - -   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) related to Flavouring Group Evaluation 22 (FGE.22): Ring-substituted phenolic substances from chemical groups 21 and 25 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf Flavouring Group Evaluation 58 (FGE.58) Consideration of phenol derivatives evaluated by JECFA (55th meeting) structurally related to ring substituted phenolic substances evaluated by EFSA in FGE.22 (2006) (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 Scientific Opinion on Flavouring Group Evaluation 22, Revision 1 (FGE.22Rev1): Ring-substituted phenolic substances from chemical groups 21 and 25 View page or View pdf EPI System: View AIDS Citations:Search Cancer Citations:Search Toxicology Citations:Search EPA ACToR:Toxicology Data EPA Substance Registry Services (SRS):Registry Laboratory Chemical Safety Summary :61954 National Institute of Allergy and Infectious Diseases:Data WGK Germany:3 (2-methylphenyl) 2-methylpropanoate Chemidplus:0036438547   References:   (2-methylphenyl) 2-methylpropanoate NIST Chemistry WebBook: Search Inchi Canada Domestic Sub. List: 36438-54-7 Pubchem (cid): 61954 Pubchem (sid): 135018916   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 FDA Substances Added to Food (formerly EAFUS): View HMDB (The Human Metabolome Database): HMDB37680 FooDB: FDB016807 Export Tariff Code: 2915.60.0000 ChemSpider: View   Potential Blenders and core components note For Odor amber amber furan FR ambergris naphthol FR alpha- ambrinol FL/FR ambrinol FR animal animal carbolactone FR iso butyl quinoline FR iso butyl quinoline FR civet absolute FL/FR costus valerolactone FR para- cresyl caprylate FL/FR para- cresyl isobutyrate FL/FR para- cresyl phenyl acetate FL/FR indolall FR indole FL/FR indoletal FR para- methyl tetrahydroquinoline FL/FR piperidine FL/FR skatole FL/FR 1-oxa spiro-4,7-dodecane FR anisic ortho- acetanisole FL/FR balsamic amyl phenyl acetate FL/FR sumatra benzoin absolute FL/FR guaiyl butyrate FR opoponax oil (balsamodendron kafal) FL/FR opoponax resinoid (balsamodendron kafal) FR camphoreous dextro- camphor FL/FR chocolate iso amyl phenyl acetate FL/FR vanillyl ethyl ether FL/FR coumarinic phthalide FL/FR creamy para- vanillyl alcohol FL/FR earthy muscogene FR ethereal propyl valerate FL/FR fatty delta- juniper lactone FL/FR floral benzyl alcohol FL/FR para- cresyl acetate FL/FR dimethyl anthranilate FL/FR (E)-2,5,9- trimethyl-4,9-decadien-1-al FR fruity linalyl hexanoate FL/FR para- tolualdehyde FL/FR meta- tolualdehyde FL/FR green diphenyl oxide FL/FR seaweed absolute (fucus vesiculosus et serratus) FL/FR valerian rhizome oil CO2 extract china FL/FR herbal petitgrain heptane FR red thyme oil india FL/FR red thyme oil spain FL/FR thymol FL/FR valerian rhizome oil FL/FR valerian rhizome oil china FL/FR yerba mate absolute FL/FR honey phenyl pyruvic acid FL/FR leathery castoreum absolute FL/FR marine marine pyridine FR medicinal 2,6- xylenol FL/FR minty piperitenone FL/FR mossy oakmoss concrete FR sea resorcylate FR veramoss (IFF) FR musk (3alpha,5alpha)- androst-16-en-3-ol FR (Z)- civet decenone FL/FR ethylene dodecanoate FR exaltone (Firmenich) FR juniper lactone FL/FR delta- muscenone FR musk dimethyl indane FL/FR musk lactone FR musk nonane FR (Z)- musk pentane FR omega- pentadecalactone FL/FR nutty nutty cyclohexenone FL/FR phenolic anisole FL/FR meta- cresol FR ortho- cresol FR para- cresol FL/FR 2,3- dimethyl benzofuran FL/FR para-alpha- dimethyl styrene FL/FR ortho- guaiacol FL/FR 2'- hydroxyacetophenone FL/FR methyl benzoate FL/FR 4- methyl-2,6-dimethoxyphenol FL/FR piper betle leaf oil FR 2- propyl phenol FL/FR 4- propyl phenol FL/FR 4- vinyl phenol FL/FR 2,3- xylenol FL/FR 2,5- xylenol FL/FR smoky 4- ethyl phenol FL/FR pyroligneous acids FL/FR spicy 4- ethyl guaiacol FL/FR 4- methyl guaiacol FL/FR zingerone FL/FR tobacco para- cresyl isovalerate FL/FR vanilla ortho- dimethyl hydroquinone FL/FR woody guaiacyl acetate FL/FR spikenard oil FL/FR beta- thujaplicin FR For Flavor No flavor group found for these amyl phenyl acetate FL/FR chavicol FL 2,4- dihydroxybenzoic acid FL 2,6- dimethoxy-4-vinyl phenol FL ortho- dimethyl hydroquinone FL/FR linalyl hexanoate FL/FR 3- methyl crotonic acid FL 4- methyl cyclohexanone FL 4- methyl salicylaldehyde FL para- methyl tetrahydroquinoline FL/FR piperidine FL/FR piperitenone FL/FR 2- propyl phenol FL/FR 4- propyl phenol FL/FR propyl valerate FL/FR para- salicylic acid FL seaweed absolute (fucus vesiculosus et serratus) FL/FR skatole FL/FR spikenard oil FL/FR amber amber alpha- ambrinol FL/FR ammoniacal pyrrolidine FL animal civet absolute FL/FR para- cresyl caprylate FL/FR indole FL/FR aromatic anisole FL/FR para- cresyl acetate FL/FR para- cresyl isobutyrate FL/FR balsamic opoponax oil (balsamodendron kafal) FL/FR burnt 2,6- xylenol FL/FR chemical 2,3- dimethyl benzofuran FL/FR coumarinic phthalide FL/FR creamy para- vanillyl alcohol FL/FR fatty delta- juniper lactone FL/FR fishy 3- penten-2-one FL floral iso amyl phenyl acetate FL/FR fruity benzyl alcohol FL/FR dimethyl anthranilate FL/FR meta- tolualdehyde FL/FR valerian rhizome oil FL/FR valerian rhizome oil china FL/FR valerian rhizome oil CO2 extract china FL/FR green diphenyl oxide FL/FR herbal red thyme oil india FL/FR red thyme oil spain FL/FR yerba mate absolute FL/FR leathery castoreum absolute FL/FR meaty 2,6- dimethyl thiophenol FL ortho- thioguaiacol FL medicinal dextro- camphor FL/FR musk (Z)- civet decenone FL/FR juniper lactone FL/FR musk dimethyl indane FL/FR musty 2- ethoxythiazole FL 2,5- xylenol FL/FR naphthyl 2'- hydroxyacetophenone FL/FR nutty nutty cyclohexenone FL/FR phenolic para- cresol FL/FR para- cresyl isovalerate FL/FR para- cresyl phenyl acetate FL/FR methyl benzoate FL/FR 4- methyl-2,6-dimethoxyphenol FL/FR phenyl pyruvic acid FL/FR thymol FL/FR 4- vinyl phenol FL/FR 2,3- xylenol FL/FR powdery ortho- acetanisole FL/FR roasted ethyl 3-(furfuryl thio) propionate FL rummy vanillyl ethyl ether FL/FR smoky 4- ethyl phenol FL/FR pyroligneous acids FL/FR sour 3- methyl valeric acid FL spicy sumatra benzoin absolute FL/FR para-alpha- dimethyl styrene FL/FR 4- methyl guaiacol FL/FR para- tolualdehyde FL/FR zingerone FL/FR vanilla omega- pentadecalactone FL/FR vegetable tyramine FL woody 4- ethyl guaiacol FL/FR ortho- guaiacol FL/FR guaiacyl acetate FL/FR   Potential Uses: FR berry FR jasmin FR narcissus   Occurrence (nature, food, other):note   not found in nature   Synonyms: iso butyric acid, 2-methylphenyl ester o-iso cresyl butyrate o- cresyl isobutyrate   cresyl isobutyrate, o- 2- methyl phenyl 2-methyl propanoate o- methyl phenyl isobutyrate ortho- methyl phenyl isobutyrate 2- methyl propanoic acid 2-methyl phenyl ester 2- methylphenyl 2-methylpropanoate o- methylphenyl isobutyrate ortho- methylphenyl isobutyrate   methylphenyl isobutyrate, o- (2- methylphenyl) 2-methylpropanoate 2- methylpropanoic acid 2-methylphenyl ester   propanoic acid, 2-methyl-, 2-methylphenyl ester o- tolyl 2-methyl propanoate ortho- tolyl 2-methyl propanoate o- tolyl 2-methylpropanoate ortho- tolyl 2-methylpropanoate   tolyl 2-methylpropanoate, o- o- tolyl isobutyrate ortho- tolyl isobutyrate   tolyl isobutyrate, o-   Articles:   None found yet. 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Notes: Flavouring ingredient