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3-phenylpropyl isobutyrate
Notes:
Used as a food additive [EAFUS]
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Alfrebro LLC/ Archer Daniels Midland Company Let's get reacquainted Building great taste with aroma chemicals, extracts, and distillates The Alfrebro brand was established in the early 1900s by Alex Fries & Brothers, a Cincinnati Flavor Company. In 1980, the brand was re-launched as an aroma chemical manufacturer. Since its inception, Alfrebro’s primary focus has been to provide quality natural and high value synthetic chemicals. Email: Sarah Forbis Email: Sales Voice: 513-539-3021 Fax: 513-539-7372 US Voice: 513-539-7373 Newsroom Product(s): 3-PHENYL PROPYL ISOBUTYRATE NATURAL
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Berje Inc. Where the world comes to its senses Where the world comes to its senses - Berjé is a global distributor of Essential Oils and Aromatic Chemicals. Berjé is a family-owned business that has been in operation for six decades. The company's origins and strength lie in a profound understanding of the supply and the quality of the diverse raw materials consumed by the flavor and fragrance industries. This base was expanded upon more than two decades ago to include fragrance production. The company's unparalleled raw material expertise is focused on the supply of essential oils and aromatic chemicals. This is supported by our long-standing relationships with a worldwide fabric of producers ensuring the greatest prospects for uninterrupted supply in markets that are often volatile and unpredictable. Email: For Information Email: For Sales Voice: 973-748-8980 Fax: 973-680-9618 Instagram Linkedin Flavor Ingredients Fragrance Ingredients Functional Ingredients Media Products List: View Product(s): Phenyl Propyl iso Butyrate
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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): 103-58-2 3-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): 16-46800 3-PHENYLPROPYL ISOBUTYRATE
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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): W289302 3-Phenylpropyl isobutyrate, ≥98%, FG SDS
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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): I0425 3-Phenylpropyl Isobutyrate 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): 3-Phenyl Propyl Isobutyrate
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| CAS Number: | 103-58-2 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 203-125-0 | |
| FDA UNII: | Y9O48YFN18 | |
| Nikkaji Web: | J36.972A | |
| Beilstein Number: | 2454387 | |
| MDL: | MFCD00082227 | |
| CoE Number: | 303 | |
| XlogP3: | 3.60 (est) | |
| Molecular Weight: | 206.28486000 | |
| Formula: | C13 H18 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 |
| JECFA Food Flavoring: | 640 3-phenylpropyl isobutyrate |
| DG SANTE Food Flavourings: | 09.428 3-phenylpropyl isobutyrate |
| FEMA Number: | 2893 3-phenylpropyl isobutyrate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 103-58-2 ; 3-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: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.98000 to 0.98300 @ 20.00 °C. |
| Pounds per Gallon - (est).: | 8.164 to 8.189 |
| Refractive Index: | 1.48500 to 1.48700 @ 20.00 °C. |
| Boiling Point: | 282.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 0.002000 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 230.00 °F. TCC ( > 110.00 °C. ) |
| logP (o/w): | 3.710 (est) |
| Soluble in: | |
| alcohol | |
| water, 16.47 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: fruity | |
| Odor Strength: | medium |
| Substantivity: | 189 hour(s) at 100.00 % |
| fruity tropical apricot plum balsamic jammy honey bready osmanthus fruit dried fruit | |
| Odor Description: at 100.00 %. | fruity tropical apricot plum balsamic jammy honey bready osmanthus dried fruit Luebke, William tgsc, (2021) |
| sweet fruity juicy fruit honey tropical fermented sugar jammy osmanthus | |
| Odor Description: at 1.00 %. | sweet rich fruity, juicy fruit, honey, tropical fruity with fermented sugar, and jammy osmanthus like nuances Mosciano, Gerard, (2009) |
| Flavor Type: fruity | |
| fruity fruit ripe fruit plastic juicy blackberry fruit dried fruit fig tropical orris | |
| Taste Description: | fruity ripe fruit plastic juicy blackberry dried fruit fig tropical orris Luebke, William tgsc, (2021) |
| sweet fruity ripe juicy blackberry blueberry fig grape fermented | |
| Taste Description: at 10.00 ppm. | sweet rich fruity, ripe juicy notes reminiscent of blackberry, blueberry, fig and grape, slightly fermented miso like nuances Mosciano, Gerard, (2009) |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| Alfrebro |
| 3-PHENYL PROPYL ISOBUTYRATE NATURAL
Odor: Sweet, Fruity, Balsam |
| Berjé |
| Phenyl Propyl iso Butyrate |
| Media |
| BOC Sciences |
| For experimental / research use only. |
| 3-Phenylpropyl Isobutyrate |
| Inoue Perfumery |
| 3-PHENYLPROPYL ISOBUTYRATE |
| Parchem |
| 3-phenyl propyl isobutyrate |
| Penta International |
| 3-PHENYLPROPYL ISOBUTYRATE |
| Sigma-Aldrich |
| 3-Phenylpropyl isobutyrate, ≥98%, FG
Odor: balsam; fruity; sweet |
| Certified Food Grade Products |
| TCI AMERICA |
| For experimental / research use only. |
| 3-Phenylpropyl Isobutyrate |
| WholeChem |
| 3-Phenyl Propyl 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. | |
| Human Experience: | |
| 8 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
|
oral-rat LD50 > 5000 mg/kg One group of 10 animals received 5000 mg/kg, mortality 1/10, only summary available. (Levenstein, 1975f) | |
| 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 3-phenyl propyl isobutyrate usage levels up to: | |||
| 8.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 3.70 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 16.00 (μg/capita/day) | ||
| Structure Class: | I | ||
| 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: | - | 5.80000 | |
| beverages(nonalcoholic): | - | 1.30000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 3.00000 | |
| fruit ices: | - | 3.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 5.00000 | |
| 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:
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of cinnamyl derivatives used as flavor ingredients. View pdf | |
| 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 15 (FGE.15): Aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives from chemical group 22 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf | |
| Flavouring Group Evaluation 15, Revision 1 (FGE.15Rev1) - Aryl-substituted saturated and unsaturated primary alcohol/aldehyde/acid/ester derivatives from chemical group 22 - 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 68 (FGE.68): Consideration of cinnamyl alcohol and related flavouring agents evaluated by JECFA (55th meeting) evaluated by EFSA in FGE.15Rev1 (2008) View page or View pdf | |
| Safety and efficacy of aryl-substituted primary alcohol, aldehyde, acid, ester and acetal derivatives belonging to chemical group 22 when used as flavourings for all animal species View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 103-58-2 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 7662 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| 3-phenylpropyl 2-methylpropanoate | |
| Chemidplus: | 0000103582 |
| RTECS: | NQ5440000 for cas# 103-58-2 |
References:
| 3-phenylpropyl 2-methylpropanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 103-58-2 |
| Pubchem (cid): | 7662 |
| Pubchem (sid): | 134972234 |
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 |
| KEGG (GenomeNet): | C02008 |
| HMDB (The Human Metabolome Database): | HMDB34472 |
| FooDB: | FDB012882 |
| Export Tariff Code: | 2915.90.2000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| balsam | FR | |
| currant black currant | FR | |
| fruit | FR | |
| hovenia | FR | |
| narcissus | FR | |
| peach | FR | |
| wisteria | FR |
Occurrence (nature, food, other): note
| chamomile Search PMC Picture |
Synonyms:
| iso | butyric acid 3-phenyl propyl ester |
| iso | butyric acid 3-phenylpropyl ester |
| iso | butyric acid, 3-phenylpropyl ester |
| hydrocinnamyl 2-methyl propanoate | |
| hydrocinnamyl isobutyrate | |
| 2- | methyl propanoic acid 3-phenyl propyl ester |
| 2- | methylpropanoic acid 3-phenylpropyl ester |
| 3- | phenyl propyl 2-methyl propanoate |
| beta- | phenyl propyl 2-methyl propanoate |
| phenyl propyl iso butyrate | |
| 3- | phenyl propyl isobutyrate |
| 3- | phenylpropyl 2-methylpropanoate |
| 3- | phenylpropyl 2-methylpropionate |
| 3- | phenylpropyl isobutyrate |
| propanoic acid, 2-methyl-, 3-phenylpropyl ester |