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Notes:
Booster in florals.
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A.C.S. International, Inc. European Aroma Chemicals Production • Distribution • Sourcing • Logistics • Consulting Our hybrid business model, combining manufacturing with sourcing and exclusive distribution agreements, results in a superior level of purchasing power that when added to our global warehouse network with locations near all major flavor and fragrance industry compounding centers around the globe, make A.C.S. International your one-stop sourcing partner. US Email: North American Customer Care portal Email: Lee Beuk (Global Sales) US Email: Claude deLorraine (USA Sales) Voice: +1-732-383-7205 Fax: +1-732-383-7307 Lee Beuk 
Product(s): 72016 cis-3-Hexenyl Isobutyrate
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Apiscent Labs, LLC Delivery of Quality Custom manufacturer and international supplier of fine ingredients. We believe inspired chemistry enriches lives. That's why our team is guided by a mission to provide fine ingredients to the worldwide pharmaceutical, flavor and fragrance markets with a primary focus on the manufacturing of value-added, research-based molecules. We're innovative problem solvers committed to excellence at every phase. Our work builds the foundation for our clients' continued success. Email: Info Email: Carl Sheeley Email: Customer Service Voice: +1 (414) 744 3993 Fax: +1 (414) 744 7111 Product(s): C3 HEXENYL ISOBUTYRATE
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Azelis UK Life Sciences Chemical Distribution Azelis is a leading global distributor of speciality chemicals. Azelis is a leading global speciality chemicals distributor. We provide a diverse range of products and innovative services to more than 20,000 customers. Our in-depth local knowledge is supported by an international structure and value-added services including high levels of technical support and tailored solutions. Email: Graham Bott Voice: +32 3 613 01 20 Fax: +32 3 613 01 21 United Kingdom +44 (0) 1992 82 55 55 United Kingdom +44 (0) 1992 82 55 66 Product(s): VERDURAL B EXTRA
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Bedoukian Research, Inc. Constantly Improving Working closely with our customers to meet their requirements. Paul Bedoukian founded the company to fill a niche as a supplier of high quality specialty aroma and flavor ingredients. In 1975 the company began manufacturing insect pheromones which are chemically similar to flavor and fragrance ingredients. Today, Bedoukian Research offers more than 450 Aroma Chemicals and 50 Insect Pheromones, while also providing custom manufacturing services to the pharmaceutical, agrochemical, and specialty chemical industries. US Email: Customer Service US Voice: 1-203-830-4000 US Fax: 1-203-830-4010 Products List: View Product(s): 107 cis-3-HEXENYL ISOBUTYRATE ≥97.0% (cis), Kosher MSDS Lends freshness to lavender and other herbaceous fragrances.
Adds lift to fruit flavors such as apple, pear, melon, tropical and pineapple.1071 cis-3-HEXENYL ISOBUTYRATE, NO ANTIOXIDANT ≥99.0% (sum of isomers), Special Order MSDS Lends freshness to lavender and other herbaceous fragrances.
Adds lift to fruit flavors such as apple, pear, melon, tropical and pineapple.
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Berjé Inc. The solution is clear 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 Product(s): cis-3-Hexenyl iso Butyrate
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Indukern, S.A. F&F Ingredients Division Commitment to quality Idukern F&F Ingredients is your partner for the fragrance and flavor ingredients. Indukern F&F focuses in particular on the service it offers its clients in terms of quality, speed and direct consultancy with more than 1600 different products in stock ready for prompt shipment: Aromachemicals, Essential Oils and Natural Isolates. Email: Info Email: Laura Iglesias (Spain) Email: Luciana Soares (Brazil) Email: Jose Pablo Sanchez Bejos (Mexico) Email: Monica Taborda (Colombia) Voice: +34 93 506 91 00 Fax: +34 93 506 91 95 Product(s): CIS-3-HEXENYL ISOBUTYRATE
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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 Product(s): cis-3-HEXENYL 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): 08-33600 cis-3-HEXENYL ISOBUTYRATE, Kosher 08-33610 cis-3-HEXENYL ISOBUTYRATE NATURAL, Kosher
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SAFC 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 Product(s): W392901 cis-3-Hexenyl isobutyrate >98%, Kosher MSDS
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SRS Aromatics Ltd For over 25 years Bringing flavour and fragrance into your world. As suppliers / distributors of ingredients to the fragrance and flavour industries, our goal is to provide high quality materials at competitive prices with an exceptional level of service. Established in 1984, SRS Aromatics Ltd is an independent family owned business which has become very well-respected within the fragrance and flavour industry as a reliable and trustworthy partner. Over the years this has allowed the company to develop strong relationships with many global manufacturers; several of whom we represent in the UK. A core aim of our business is to work extremely closely with both our suppliers and customers to maximise service levels with minimum disruption to supply. Email: Info Email: Sales Voice: +44 (0) 1284 704076 Fax: +44 (0) 1284 760819 Product(s): HEXENYL CIS 3 ISO BUTYRATE
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The Lermond Company Your Sourcing Resource The Lermond family has been sourcing raw materials for the flavor and fragrance industry for nearly 7 decades. The Lermond Company is a women-owned distributor of raw materials primarily servicing the flavor and fragrance industry. For three generations, members of the Lermond family have been integral sourcing partners for the North American flavor and fragrance industry. We supply high quality essential oils, aroma chemicals, absolutes, concretes, resinoids and floral waters from around the world to the global industry. Email: Info Email: Tara Email: Erica Voice: 201-896-3300 Fax: 201-623-2910 Product(s): 16374 cis-3-Hexenyl Iso Butyrate
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Ernesto Ventós S.A. Continued Customer Satisfaction We employ our five senses to do our job well. Ventós has specialized in the distribution of raw materials for the flavour and fragrance industry. With more than 1700 references permanently available from stock, we offer a just-in-time response to our customer needs, being able to deliver from 1kg to several tonnes all over the world. Email: Information Email: Gemma Parramon (Europe) US Email: Jordi Sort (Northern Europe and US) Email: Olivia Gautier (Asia, Africa and Oceania ) Email: Ramon Rubau (Latin America) Voice: +34 934706210 Fax: +34 934733010 Product(s): CIS-3-HEXENYL ISOBUTYRATE
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Vigon International, Inc. The Yipppeee! Team Manufacturer and supplier of high quality flavor and fragrance ingredients. The growth and success of Vigon is due in large part to a unique corporate concept that Vigon has developed and established within the industry: Creative Partnerships. This partnership concept has been and continues to be the foundation and guiding principle for all of Vigon's activities. US Email: Sales US Voice: 570-476-6300 US Fax: 570-476-1110 Products List: View Product(s): 501819 Hexenyl cis-3 Isobutyrate Natural MSDS
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| Fragrance Demo Formulas | |
| [(Z)-hex-3-enyl] 2-methylpropanoate (Click)
IUPAC Name: [(Z)-hex-3-enyl] 2-methylpropanoate
Std.InChI: InChI=1S/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h5-6,9H,4,7-8H2,1-3H3/b6-5-
InChI: InChI=1/C10H18O2/c1-4-5-6-7-8-12-10(11)9(2)3/h5-6,9H,4,7-8H2,1-3H3/b6-5-
Std.InChIKey: OSMAJVWUIUORGC-WAYWQWQTSA-N
InChIKey: OSMAJVWUIUORGC-WAYWQWQTBU
SMILES: CC/C=C\CCOC(=O)C(C)C
| |
| CAS Number: | 41519-23-7 |
| % from: | 97.00% to 99.90% |
| ECHA EC Number: | 255-424-0 |
| FDA UNII: | R84N0RD251 |
| Beilstein Number: | 1759547 |
| MDL: | MFCD00036529 |
| FEMA Number: | 3929 |
| CoE Number: | 11783 |
| XlogP3-AA: | 2.90 (est) |
| Molecular Weight: | 170.25186000 |
| Formula: | C10 H18 O2 |
| NMR Predictor: | Predict |
| Also(can) Contains: | (E)-3-hexen-1-yl isobutyrate 0.10% to 3.00% |
| 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: | 1275 cis-3-hexenyl isobutyrate |
| Flavis Number: | 09.563 (Old) |
| EU SANCO Food Flavourings: | 09.563 hex-3(cis)-enyl isobutyrate |
| FEMA Number: | 3929 (Z)-3-hexenyl isobutyrate |
| FDA Mainterm: | (Z)-3-HEXENYL ISOBUTYRATE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 98.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.88200 to 0.88500 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.339 to 7.364 |
| Specific Gravity: | 0.87900 to 0.88900 @ 20.00 °C. |
| Pounds per Gallon - est.: | 7.323 to 7.406 |
| Refractive Index: | 1.42400 to 1.43200 @ 20.00 °C. |
| Boiling Point: | 80.00 °C. @ 30.00 mm Hg |
| Boiling Point: | 73.00 °C. @ 6.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.182000 mm/Hg @ 25.00 °C. (est) |
| Vapor Density: | 5.8 ( Air = 1 ) |
| Flash Point: | 152.00 °F. TCC ( 66.67 °C. ) |
| logP (o/w): | 3.263 (est) |
Organoleptic Properties:
| Odor Type: | fruity |
| Odor Strength: | high , recommend smelling in a 10.00 % solution or less |
| Odor Description: at 10.00 % in dipropylene glycol. | fruity green cut grass cut privet fruity apple pear |
| Odor Description: at 1.00 %. | Sweet fruity apple and pear, fading to a slight green character Mosciano, Gerard P&F 25, No. 5, 72, (2000) |
| Taste Description: at 1.00 - 5.00 ppm. | Sweet fruity apple and pear with a slight green character and nuances of raw beans and filberts Mosciano, Gerard P&F 25, No. 5, 72, (2000) |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
Safety Information:
| 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 36/39 - Wear suitable clothing 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. | |||
| Oral/Parenteral Toxicity: | |||
|
gavage-rat LD50 [sex: M/F] > 25000 mg/kg (Moran et al., 1980) gavage-mouse LD50 [sex: M/F] > 25000 mg/kg (Moran et al., 1980) oral-rat LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 799, 1979. | |||
| Dermal Toxicity: | |||
|
skin-rabbit LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 17, Pg. 799, 1979. | |||
| Inhalation Toxicity: | |||
| Not determined | |||
Safety in Use Information:
| Category: | flavor and fragrance agents | ||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 12.00 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 18.00 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | ND (μg/person/day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| Structure Class: | I | ||
| Recommendation for (Z)-3-hexen-1-yl isobutyrate usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| 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 on the "Resources" link. | |||
| publication number: 19. Update in publication number(s): 20 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 16.00000 | 150.00000 | |
| beverages(nonalcoholic): | 2.00000 | 20.00000 | |
| beverages(alcoholic): | 4.00000 | 8.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | 15.00000 | 150.00000 | |
| condiments / relishes: | 5.00000 | 50.00000 | |
| confectionery froastings: | 5.00000 | 50.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 7.00000 | 15.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 5.00000 | 50.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | - | |
| milk products: | 2.00000 | 20.00000 | |
| 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 62 (FGE.62) Consideration of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05 (2005) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06 (2004) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) page or pdf | |
| Flavouring Group Evaluation 62 Rev1 (FGE.62 Rev1): Consideration of of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st and 68th meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06Rev1 (2008) page or pdf | |
| EPI System: | View |
| Chemicalize.org: | Calculate predicted properties |
| EPA Substance Registry Services (TSCA): | 41519-23-7 |
| EPA ACToR: | Toxicology Data |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| [(Z)-hex-3-enyl] 2-methylpropanoate | |
| Chemidplus: | 0041519237 |
| RTECS: | UA2470200 for cas# 41519-23-7 |
References:
| [(Z)-hex-3-enyl] 2-methylpropanoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 41519-23-7 |
| Pubchem (cid): | 5352539 |
| Pubchem (sid): | 135116769 |
| Pherobase Floral: | View |
Other Information:
| (IUPAC): | Atomic Weights of the Elements 2009 |
| (IUPAC): | Atomic Weights of the Elements 2009 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| FDA Everything Added to Food in the United States (EAFUS): | View |
| Export Tariff Code: | 2915.60.0000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| apple | FR | |
| floral | FR | |
| fruit tropical fruit | ||
| grass | ||
| green | FR | |
| herbal | FR | |
| lavender | FR | |
| lemon | FR | |
| melon watermelon muskmelon cantaloupe | ||
| mint | FR | |
| natural | ||
| nut | FL | |
| orange | FR | |
| pear | FR | |
| pineapple | FR | |
| privet |
Natural Occurrence in: note
| guava fruit GRIN Trop Picture | |
| quince peel chinese | |
| spearmint oil scotch GRIN Trop Picture |
Synonyms:
| iso | butyric acid (Z)-hex-3-en-1-yl ester | ||
| (3Z)- | hex-3-en-1-yl 2-methylpropanoate | ||
| (Z)- | hex-3-enyl 2-methyl propanoate | ||
| (Z)- | hex-3-enyl isobutyrate | ||
| [(Z)- | hex-3-enyl] 2-methylpropanoate | ||
| hex-3(cis)-enyl isobutyrate | |||
| (Z)-3- | hexen-1-yl 2-methyl propionate | ||
| cis-3- | hexen-1-yl 2-methyl propionate | ||
| beta,gamma- | hexen-1-yl isobutanoate | ||
| (Z)-3- | hexen-1-yl isobutyrate | ||
| cis-3- | hexen-1-yl isobutyrate | ||
| hexenyl cis-3 isobutyrate natural | |||
| cis-3- | hexenyl i-butyrate | ||
| cis-3- | hexenyl iso butyrate | ||
| cis-3- | hexenyl iso-butyrate | ||
| (Z)-3- | hexenyl isobutyrate | ||
| C3 | hexenyl isobutyrate | ||
| cis-3- | hexenyl isobutyrate | ||
| cis-3- | hexenyl isobutyrate, no antioxidant | ||
| hexenyl-cis-3-iso-butyrate | |||
| (Z)-2- | methyl propanoic acid 3-hexen-1-yl ester | ||
| (Z)-2- | methylpropanoic acid 3-hexenyl ester | ||
| propanoic acid, 2-methyl-, (3Z)-3-hexen-1-yl ester | |||
| propanoic acid, 2-methyl-, (3Z)-3-hexenyl ester | |||
| propanoic acid, 2-methyl-, 3-hexenyl ester, (Z)- | |||
| verdural B extra |
click on the picture(s) below to interact with the 3D model | |
| |
| Soluble in: | |
| alcohol | |
| water, 60.2 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Stability: | |
| acid cleaner | |
| alcoholic lotion | |
| antiperspirant | |
| deo stick | |
| detergent perborate | |
| fabric softener | |
| hard surface cleaner | |
| liquid detergent | |
| shampoo | |
| soap | |