Articles:
3-butylidenephthalide
Notes:
Flavouring ingredient
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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): Butylidene Phthalate
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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): B0005-464616 n-Butylidenephthalide
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FRUTAROM USA INC, Flavor & Specialty Ingredients Your preferred partner for flavour and fragrance success. Our broad and diverse product portfolio is designed to provide and cater for every flavor and taste profile required by our customer base and incorporates historic, and iconic, market leading products. Email: Info US Email: Info- USA Email: Sales Voice: +44 (0) 1429 863 222 Products List: View Product(s): 441B095000 BUTYLIDENE PHTHALIDE KOSHER
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Lluch Essence S.L. A family company dedicated to sales and distribution Flexibility, availability, price and quality. Flexibility, availability, price and quality make LLUCH ESSENCE S.L. one of Europe’s references when it comes to essential oils and aroma chemicals, and it is now well known all around the world. Email: Info Voice: 34 93 379 38 49 Fax: 34 93 370 65 04 Linkedin Product(s): BUTYLIDENE PHTHALIDE
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O'Laughlin Industries Inc. Manufacturer of chemicals and ingredients used in flavors, fragrances, food, beverages and cosmetics Leading the Flavor and Fragrance Industry since 1980. O'Laughlin was established in 1980 by its owner and chief executive Michael O'Laughlin, when he moved to Beijing, China and established a small office. Since then it has grown to be a world class producer of chemicals, with significant production facilities in China, and distribution and sales in all major world markets. Email: Sales US Email: John Gick Voice: (852) 2527-1031 Fax: (852) 2529-0231 US Voice: (973) 376-4600 US Fax: (973) 376-4630 Product(s): 772-3115 BUTYLIDENE PHTALIDE
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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): 02-62600 3-BUTYLIDENE PHTHALIDE
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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): W333301 3-Butylidenephthalide, mixture of cis and trans isomers, ≥96%, FG SDS
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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): W2256 3-Butylidenephthalide W2256P 3-BUTYLIDENEPHTHALIDE; HIGH PURITY W2256Q 3-BUTYLIDENEPHTHALIDE
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Tianjin Danjun International Trade Co., LTD. Quality Products We know the Chinese chemical market well. Tianjin danjun international trade co., LTD. is an organic chemicals trading company approved by the relevant state authorities to register. We have about 300 kinds of products (natural aroma chemicals, synthetic aroma chemicals and pharmaceutical intermediates). Most of the products are used in flavor and fragrance industry. We know the Chinese chemical market well and we have close relationship with many of the main manufacturers, and to provide our customers with quality goods together with comprehensive service. Email: Info Email: Sales Voice: +86-15822601686 Products List: View Product(s): M-013 :3-Butylidenephthalide
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R C Treatt and Co Ltd Innovative ingredient solutions World-leading innovative ingredient solutions provider for the flavour, fragrance and FMCG industries. We offer innovative and trend-setting product concepts for our customers, collaborating with them to create true value for their products. Email: Enquiries US Email: Enquiries Voice: +44 (0) 1284 702500 Fax: +44 (0) 1284 703809 US Voice: +1 863 668 9500 US Fax: +1 863 668 3388 Twitter Linkedin Youtube News Product(s): 3-Butylidene Phthalide
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| Flavor Demo Formulas | ||
| CAS Number: | 551-08-6 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 208-991-3 | |
| FDA UNII: | S9178G4B3F | |
| MDL: | MFCD00047319 | |
| CoE Number: | 10083 | |
| XlogP3-AA: | 3.20 (est) | |
| Molecular Weight: | 188.22604000 | |
| Formula: | C12 H12 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: | 1170 3-butylidenephthalide |
| DG SANTE Food Flavourings: | 10.024 3-butylidenephthalide |
| FEMA Number: | 3333 3-butylidenephthalide |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 551-08-6 ; 3-BUTYLIDENEPHTHALIDE |
Physical Properties:
| Appearance: | yellow clear oily liquid (est) |
| Assay: | 99.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 1.10300 @ 25.00 °C. |
| Specific Gravity: | 1.09800 to 1.10300 @ 25.00 °C. |
| Pounds per Gallon - est.: | 9.136 to 9.178 |
| Boiling Point: | 319.00 to 321.00 °C. @ 760.00 mm Hg |
| Boiling Point: | 139.00 to 142.00 °C. @ 5.00 mm Hg |
| Vapor Pressure: | 0.001000 mmHg @ 25.00 °C. (est) |
| Flash Point: | > 212.00 °F. TCC ( > 100.00 °C. ) |
| logP (o/w): | 3.388 (est) |
| Soluble in: | |
| alcohol | |
| water, slightly | |
| water, 353.5 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: herbal | |
| Odor Strength: | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity: | 376 hour(s) at 100.00 % |
| herbal lovage celery | |
| Odor Description: at 10.00 % in dipropylene glycol. | herbal lovage celery Luebke, William tgsc, (1991) |
| celery green vegetable lovage herbal | |
| Odor Description: | Celery, green, vegetable, lovage-like with a herbal note Mosciano, Gerard P&F 17, No. 4, 33, (1992) |
| Flavor Type: celery | |
| celery green vegetable herbal | |
| Taste Description: at 15.00 ppm. | Celery, green, vegetable-like with a herbal nuance Mosciano, Gerard P&F 17, No. 4, 33, (1992) |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| Alfa Biotechnology |
| For experimental / research use only. |
| 3-Butylidenephthalide 98% |
| Berjé |
| Butylidene Phthalate |
| Media |
| BOC Sciences |
| For experimental / research use only. |
| n-Butylidenephthalide |
| Frutarom |
| BUTYLIDENE PHTHALIDE
KOSHER Flavor: Herbal, Lovage, Celery, Vegetable |
| IFF |
| BUTYLIDENE PHTHALIDE
KOSHER Flavor: Herbal, Lovage, Celery, Vegetable |
| Lluch Essence |
| BUTYLIDENE PHTHALIDE |
| O'Laughlin Industries |
| BUTYLIDENE PHTALIDE |
| Penta International |
| 3-BUTYLIDENE PHTHALIDE |
| R C Treatt & Co Ltd |
| 3-Butylidene Phthalide |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| n-Butylidenephthalide, (E)+(Z) ≥95% |
| Sigma-Aldrich |
| 3-Butylidenephthalide, mixture of cis and trans isomers, ≥96%, FG |
| Certified Food Grade Products |
| Synerzine |
| 3-BUTYLIDENEPHTHALIDE; HIGH PURITY |
| Synerzine |
| 3-Butylidenephthalide |
| Synerzine |
| 3-BUTYLIDENEPHTHALIDE |
| Tianjin Danjun International |
| :3-Butylidenephthalide |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
|
R 22 - Harmful if swallowed. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. S 24/25 - Avoid contact with skin and eyes. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. | |
| 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: | |
| 2 % solution: no irritation or sensitization. | |
| Oral/Parenteral Toxicity: | |
|
oral-rat LD50 1850 mg/kg (Moreno, 1980n) oral-rat LD50 2200 mg/kg (Posternak, 1965) oral-rat LD50 1850 mg/kg Food and Chemical Toxicology. Vol. 21, Pg. 659, 1983. | |
| Dermal Toxicity: | |
|
skin-rabbit LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 21, Pg. 659, 1983. | |
| 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-butylidene phthalide usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 8.60 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 7.00 (μg/capita/day) | ||
| Structure Class: | III | ||
| 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: 6 | |||
| Click here to view publication 6 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 8.00000 | |
| beverages(nonalcoholic): | - | - | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | 5.00000 | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | 5.00000 | |
| hard candy: | - | - | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | 5.00000 | |
| milk products: | - | - | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | 5.00000 | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
Safety References:
| Flavor & Extract Manufacturers Association (FEMA) reference(s): | |
| The FEMA GRAS assessment of lactones 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): | |
| Flavouring Group Evaluation 27 (FGE.27): One aromatic lactone from chemical group 11[1] - Scientific Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf | |
| Flavouring Group Evaluation 80 (FGE.80) - Consideration of alicyclic, alicyclic-fused and aromatic-fused ring lactones evaluated by JECFA (61st meeting) structurally related to a aromatic lactone evaluated by EFSA in FGE.27 (2008) View page or View pdf | |
| Flavouring Group Evaluation 80, Revision 1 (FGE.80Rev1): Consideration of alicyclic, alicyclic-fused and aromatic-fused ring lactones evaluated by JECFA (61st meeting) structurally related to a aromatic lactone evaluated by EFSA in FGE.27 (2008) View page or View pdf | |
| Scientific Opinion on the safety and efficacy of alicyclic and aromatic lactones (chemical group 11) 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): | 551-08-6 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 62368 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| 3-butylidene-2-benzofuran-1-one | |
| Chemidplus: | 0000551086 |
| RTECS: | TI3692500 for cas# 551-08-6 |
References:
| 3-butylidene-2-benzofuran-1-one | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 551-08-6 |
| Pubchem (cid): | 62368 |
| Pubchem (sid): | 135020319 |
| 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 |
| FDA Substances Added to Food (formerly EAFUS): | View |
| KEGG (GenomeNet): | C16924 |
| HMDB (The Human Metabolome Database): | HMDB32061 |
| FooDB: | FDB008768 |
| Export Tariff Code: | 2932.29.6000 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
| EFSA Update of results on the monitoring of furan levels in food: | Read Report |
| EFSA Previous report: Results on the monitoring of furan levels in food: | Read Report |
| EFSA Report of the CONTAM Panel on provisional findings on furan in food: | Read Report |
Potential Blenders and core components note
Potential Uses:
| celery | FR | |
| lovage root | FL/FR | |
| molasses | FL | |
| spice | FR | |
| tomato | FL | |
| vegetable | FL |
Occurrence (nature, food, other): note
| celery leaf Search Trop Picture | |
| celery leaf oil Search Trop Picture | |
| celery leaf oil @ 0.90% Data GC Search Trop Picture | |
| celery root Search Trop Picture | |
| celery seed oil Search Trop Picture | |
| celery stem oil Search Trop Picture | |
| lovage leaf Search Trop Picture | |
| lovage root Search Trop Picture |
Synonyms:
| 1(3H)-iso | benzofuranone, 3-butylidene- |
| 3- | butylidene-1(3H)-isobenzofuranone |
| 3- | butylidene-2-benzofuran-1-one |
| 3- | butylidene-2-benzofuran-1(3H)-one |
| 3-N- | butylidene-phthalide |
| 3- | butylidenephthalide |
| N- | butylidenephthalide |
| ligusticum lactone |