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2-phenylpropyl isobutyrate
Notes:
Flavouring ingredient
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Beijing Lys Chemicals Co, LTD. From Grams to Tons Fine chemical high-tech company which contains R&D, production, and sales. BEIJING LYS CHEMICALS CO, LTD, established in 2004, is a fine chemical high-tech company which contains R&D, production, and sales. We mainly engaged in export and technology development of flavor and fragrance materials and pharmaceutical intermediates. We have nearly 500 kinds of products, from grams to tons, exported to USA, Europe, South Asia and etc. And we custom manufacture new products according to customers’ needs, and serve good quality products and service. Our goal is to become a fine chemical enterprise which could provide special products and services. Email: Mr. Jia Email: Mr. Guo Voice: 86-10-68418738 Fax: 86-10-68418739 Mr. Guo 86-10-68483445 Mr. Guo 86-10-68418739 News Product(s): 10721 2-Phenylpropyl isobutyrate
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BOC Sciences Best of Chemicals Supplier Quality supplier of research chemicals and biochemicals including inhibitors, building blocks, GMP Products, impurities and metabolites, APIs for Veterinary, Natural Compounds, ADCs, Stem Cell Molecule and chiral compounds. BOC Sciences provides a wide range of services to support the pharmaceutical industry through all stages of drug discovery including Custom Synthesis of those chemicals that are not in stock, Isotope Labeling Service, Chiral Synthesis and Resolution, Bioconjugation, PEGylation services, analytical services. BOC Sciences is a brand of BOCSCI Inc. We leverage our wide spectrum of business in the fields of development, manufacturing, marketing, and distribution to help you make best-informed decisions tailored to your evolving needs for premium chemicals. Our complete suite of CRO services spans the entire molecule development pipeline including contract research for target identification, building blocks, compound synthesis, biochemical and cellular analysis, preclinical animal tests, and clinical studies. Email: Marketing US Email: Marketing Email: Sales US Email: Sales Voice: 1-631-485-4226 Fax: 1-631-614-7828 US Voice: 1-631-485-4226 US Fax: 1-631-614-7828 Europe 44-203-286-1088 Facebook Twitter Linkedin Blog Get the App! Product(s): 65813-53-8 2-Phenylpropyl Isobutyrate
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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): 16-46810 2-PHENYLPROPYL ISOBUTYRATE
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PerfumersWorld Ltd. feeeel... the smell! The one-stop resource for the creative perfumer. No minimum orders. Aroma chemicals, essential oils, isolates, pheremones, absolutes, resinoids, FleuressenceTM key bases, PWx FactorTM, solubilizers, kits, creation systems, workshops, training, distance learning, The PerfumersWorld Perfumer's Studio, The Perfumer’s Formulation Bulletin, perfumery software, bespoke creation, analysis, consultancy, project counselling, trouble-shooting, unperfumed product bases, bottles, smelling strips, scales, distillation, equipment and inspiration! Email: Enquiries Email: Sales Voice: +66(0)2-99-800-80 Fax: +66(0)2-99-800-80 PerfumersWorld 
Facebook Twitter Google+ Youtube Resources Software: Perfumer's Workbook Product(s): 4FE07663 Tropicoeur Rhodia
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Sigma-Aldrich Complete Supply Chain The perfect blend of products and services that bring your creativity to life. Sigma-Aldrich is a leading Life Science and High Technology company dedicated to providing high-quality, safe and certified flavor ingredients with transparent and easily accessible documentation to customers around the globe. Sigma-Aldrich also provides a suite of analytical tools that allow food analysts to simplify sample preparation, cleanup and analysis steps, while increasing sensitivity to trace ingredients and harmful substances to meet regulations and quality standards. Email: Information US Email: Sales US Voice: 800-244-1173 US Fax: 800-368-4661 Facebook Twitter Instagram Linkedin Flavors and Fragrances Analysis FandF Newsletter Subscription Flavors and Fragrances Learning Center Certified Food Grade Products Product(s): W289205 2-Phenylpropyl isobutyrate, ≥97%, FG SDS
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WholeChem, LLC Connecting Innovators To the Building Blocks Of the Universe Custom manufacturer and distributor of specialty ingredients. We make global local. SQF-Certified Supplier We owe our success to our integrity, our dedication to the industry, and our commitment to our clients. We invite your inquiries regarding our current product list and any other products you may be having trouble sourcing. Email: Info Email: Orders Voice: +1 (262) 995.8668 Certification Our Services Products List: View Product(s): 2-Phenylpropyl isobutyrate
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| CAS Number: | 65813-53-8 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 265-931-9 | |
| FDA UNII: | 3H4JM1983E | |
| Nikkaji Web: | J149.942D | |
| MDL: | MFCD00008915 | |
| CoE Number: | 2087 | |
| XlogP3-AA: | 3.40 (est) | |
| Molecular Weight: | 206.28486000 | |
| Formula: | C13 H18 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| CAS Number: | 65813-53-8 (R) |  3D/inchi
|
| XlogP3-AA: | 3.40 (est) | |
| Molecular Weight: | 206.28486000 | |
| Formula: | C13 H18 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| CAS Number: | 65813-53-8 (S) |  3D/inchi
|
| XlogP3-AA: | 3.40 (est) | |
| Molecular Weight: | 206.28486000 | |
| Formula: | C13 H18 O2 | |
| 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 |
| JECFA Food Flavoring: | 1470 2-phenylpropyl isobutyrate |
| DG SANTE Food Flavourings: | 09.485 2-phenylpropyl isobutyrate |
| FEMA Number: | 2892 2-phenylpropyl isobutyrate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 65813-53-8 ; 2-PHENYLPROPYL ISOBUTYRATE |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 97.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.97100 to 0.97700 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 8.080 to 8.130 |
| Refractive Index: | 1.48200 to 1.48800 @ 20.00 °C. |
| Boiling Point: | 270.00 to 271.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.006000 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 230.00 °F. TCC ( > 110.00 °C. ) |
| logP (o/w): | 3.515 (est) |
| Soluble in: | |
| alcohol | |
| water, 19.04 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: floral | |
| fruity floral mango pineapple papaya mango tropical | |
| Odor Description: at 100.00 %. | fruity floral mango pineapple papaya mango tropical Luebke, William tgsc, (1993) |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Beijing Lys Chemicals |
| 2-Phenylpropyl isobutyrate |
| BOC Sciences |
| For experimental / research use only. |
| 2-Phenylpropyl Isobutyrate |
| Parchem |
| 2-phenyl propyl isobutyrate |
| Penta International |
| 2-PHENYLPROPYL ISOBUTYRATE |
| PerfumersWorld |
| Tropicoeur Rhodia
Odor: fruity papaya mango tropical fruit pineapple |
| Perfumery Laboratory |
| HYDROTROPIL ISOBUTIRATE (HYDROTROPYL ISOBUTYRATE)
Odor: Sweet, smooth, fruity-floral fragrance with hints of mango, papaya, pineapple |
| Sigma-Aldrich |
| 2-Phenylpropyl isobutyrate, ≥97%, FG
Odor: floral; fruity |
| Certified Food Grade Products |
| WholeChem |
| 2-Phenylpropyl isobutyrate |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| 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 2-phenyl propyl isobutyrate usage levels up to: | |||
| 4.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 1.60 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.05 (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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | - | |
| beverages(nonalcoholic): | - | 5.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 20.00000 | |
| fruit ices: | - | 20.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 20.00000 | |
| 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: | - | - | |
| 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): | |
| Flavouring Group Evaluation 55 (FGE.55): Consideration of phenyl-substituted aliphatic alcohols and related aldehydes and esters evaluated by JECFA (63rd meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives evaluated by EFSA in FGE.15 (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 | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 65813-53-8 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 576240 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 2-phenylpropyl 2-methylpropanoate | |
| Chemidplus: | 0065813538 |
| [(2R)-2-phenylpropyl] 2-methylpropanoate | |
| [(2S)-2-phenylpropyl] 2-methylpropanoate | |
References:
| 2-phenylpropyl 2-methylpropanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 65813-53-8 |
| Pubchem (cid): | 576240 |
| Pubchem (sid): | 135267705 |
| Pherobase: | View |
| [(2R)-2-phenylpropyl] 2-methylpropanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 65813-53-8 |
| Pubchem (cid): | 6951520 |
| Pubchem (sid): | 43559438 |
| [(2S)-2-phenylpropyl] 2-methylpropanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 65813-53-8 |
| Pubchem (cid): | 6951519 |
| Pubchem (sid): | 43559437 |
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): | HMDB34470 |
| FooDB: | FDB012880 |
| Export Tariff Code: | 2915.60.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| apricot | FR | |
| floral | FR | |
| hovenia | FR | |
| peach | FR | |
| plum | FR |
Occurrence (nature, food, other): note
| found in nature |
Synonyms:
| hydratropyl 2-methyl propanoate | |
| hydratropyl isobutyrate | |
| beta- | methyl phenethyl isobutyrate |
| beta- | methyl phenyl ethyl isobutyrate |
| 2- | methyl propanoic acid 2-phenyl propyl ester |
| 2- | methyl-2-phenyl ethyl 2-methyl propanoate |
| 2- | methyl-2-phenylethyl 2-methylpropanoate |
| beta- | methylphenethyl isobutyrate |
| 2- | methylpropanoic acid 2-phenylpropyl ester |
| 2- | phenyl propyl 2-methyl propanoate |
| alpha- | phenyl propyl alcohol isobutyric ester |
| 2- | phenylpropyl 2-methylpropanoate |
| 2- | phenylpropyl isobutyrate |
| 2- | phenylpropylisobutyrate |
| propanoic acid, 2-methyl-, 2-phenylpropyl ester |