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(Z)-3-hexenyl (E)-2-butenoate
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): cis-3-HEXENYL CROTONATE NATURAL
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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): 65405-80-3 cis-3-Hexenyl crotonate
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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): 08-32750 CIS-3-HEXENYL CROTONATE 08-32755 CIS-3-HEXENYL CROTONATE NATURAL
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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): W398209 cis-3-Hexenyl crotonate ≥97% SDS
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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 Twitter Linkedin News Product(s): HEXENYL CIS 3 CROTONATE
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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): C0919 cis-3-Hexen-1-yl Crotonate >95.0%(GC)
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| CAS Number: | 65405-80-3 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 265-746-3 | |
| FDA UNII: | 4SW5S1T63S | |
| Nikkaji Web: | J150.346D | |
| MDL: | MFCD00059903 | |
| CoE Number: | 9566 | |
| XlogP3-AA: | 2.70 (est) | |
| Molecular Weight: | 168.23592000 | |
| Formula: | C10 H16 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | CASrn in Register refers to (Z)-isomer in alcohol moiety & (E)-isomer in acid moiety. Register name to be changed to Hex-(3Z)-enyl but-(2E)-enoate. | |
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: | 1276 (Z)-3-hexenyl (E)-2-butenoate |
| DG SANTE Food Flavourings: | 09.566 (3Z)-hexenyl (E)-but-2-enoate |
| FEMA Number: | 3982 (Z)-3-hexenyl (E)-2-butenoate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 65405-80-3 ; 3-HEXENYL CROTONATE, CIS- |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 98.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.89400 to 0.90400 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.439 to 7.522 |
| Refractive Index: | 1.42700 to 1.43700 @ 20.00 °C. |
| Boiling Point: | 107.00 °C. @ 25.00 mm Hg |
| Boiling Point: | 218.00 to 219.00 °C. @ 760.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.085200 mmHg @ 25.00 °C. (est) |
| Flash Point: | 202.00 °F. TCC ( 94.44 °C. ) |
| logP (o/w): | 3.647 (est) |
| Soluble in: | |
| alcohol | |
| water, 81.27 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| Similar Items: note | |
| allyl crotonate | |
| isoamyl crotonate | |
| apple crotonate | |
| benzyl crotonate | |
| butyl (E)-2-crotonate | |
| citronellyl crotonate | |
| cyclohexyl crotonate | |
| dimethyl benzyl carbinyl crotonate | |
| ethyl (E)-2-crotonate | |
| ethyl crotonate | |
| fig crotonate | |
| geranyl crotonate | |
| heptyl crotonate | |
| (E)-3-hexen-1-yl crotonate | |
| hexyl (E)-crotonate | |
| octyl crotonate | |
| phenethyl crotonate | |
| 3-phenyl propyl crotonate | |
| plum crotonate | |
| isopropyl (E)-crotonate | |
| propyl crotonate | |
| isopropyl 3-methyl thiocrotonate | |
Organoleptic Properties:
| Odor Type: green | |
| green vegetable | |
| Odor Description: at 100.00 %. | green vegetable |
| Odor and/or flavor descriptions from others (if found). | |
Cosmetic Information:
| None found |
Suppliers:
| Alfrebro |
| cis-3-HEXENYL CROTONATE NATURAL
Odor: Leafy, Green, Vegetable |
| BOC Sciences |
| For experimental / research use only. |
| cis-3-Hexenyl crotonate |
| Grau Aromatics |
| HEXENYL-cis-3-CROTONATE
NI, Kosher |
| Kingchem Laboratories |
| C3 HEXENYL CROTONATE
Odor: Green, fruity, plum-like top note |
| Parchem |
| (Z)-3-hexen-1-yl (E)-crotonate |
| Penta International |
| CIS-3-HEXENYL CROTONATE NATURAL |
| Penta International |
| CIS-3-HEXENYL CROTONATE |
| Santa Cruz Biotechnology |
| For experimental / research use only. |
| cis-3-Hexen-1-yl Crotonate |
| Sigma-Aldrich |
| cis-3-Hexenyl crotonate ≥97% |
| Certified Food Grade Products |
| SRS Aromatics |
| HEXENYL CIS 3 CROTONATE |
| TCI AMERICA |
| For experimental / research use only. |
| cis-3-Hexen-1-yl Crotonate >95.0%(GC) |
Safety Information:
| Preferred SDS: View | |
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 36 - Irritating to 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 37/39 - Wear suitable 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. | |
| 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 (Z)-3-hexen-1-yl (E)-crotonate usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.24 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.20 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 3900 (μg/person/day) | ||
| Threshold of Concern: | 1800 (μg/person/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: 20 | |||
| Click here to view publication 20 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 2.00000 | 5.00000 | |
| beverages(nonalcoholic): | 2.00000 | 4.00000 | |
| beverages(alcoholic): | 0.50000 | 3.00000 | |
| breakfast cereal: | 0.50000 | 5.00000 | |
| cheese: | - | - | |
| chewing gum: | 5.00000 | 100.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 20.00000 | 50.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 2.00000 | 5.00000 | |
| fruit ices: | 1.00000 | 5.00000 | |
| gelatins / puddings: | 2.00000 | 5.00000 | |
| granulated sugar: | 0.20000 | 1.00000 | |
| gravies: | 0.50000 | 3.00000 | |
| hard candy: | 20.00000 | 50.00000 | |
| imitation dairy: | 2.00000 | 5.00000 | |
| instant coffee / tea: | - | - | |
| jams / jellies: | 2.00000 | 10.00000 | |
| meat products: | 0.50000 | 8.00000 | |
| milk products: | 0.50000 | 2.00000 | |
| nut products: | 0.50000 | 2.00000 | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | 0.50000 | 2.00000 | |
| processed vegetables: | 0.50000 | 2.00000 | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | 0.20000 | 1.00000 | |
| snack foods: | - | - | |
| soft candy: | 5.00000 | 10.00000 | |
| soups: | 0.50000 | 2.00000 | |
| sugar substitutes: | 0.50000 | 2.00000 | |
| sweet sauces: | 0.50000 | 3.00000 | |
| Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i). | |||
| Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm. | |||
| average usage mg/kg | maximum usage mg/kg | ||
| Dairy products, excluding products of category 02.0 (01.0): | 7.00000 | 35.00000 | |
| Fats and oils, and fat emulsions (type water-in-oil) (02.0): | 5.00000 | 25.00000 | |
| Edible ices, including sherbet and sorbet (03.0): | 10.00000 | 50.00000 | |
| Processed fruit (04.1): | 7.00000 | 35.00000 | |
| Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): | - | - | |
| Confectionery (05.0): | 10.00000 | 50.00000 | |
| Chewing gum (05.0): | - | - | |
| Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): | 5.00000 | 25.00000 | |
| Bakery wares (07.0): | 10.00000 | 50.00000 | |
| Meat and meat products, including poultry and game (08.0): | 2.00000 | 10.00000 | |
| Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): | 2.00000 | 10.00000 | |
| Eggs and egg products (10.0): | - | - | |
| Sweeteners, including honey (11.0): | - | - | |
| Salts, spices, soups, sauces, salads, protein products, etc. (12.0): | 5.00000 | 25.00000 | |
| Foodstuffs intended for particular nutritional uses (13.0): | - | - | |
| Non-alcoholic ("soft") beverages, excl. dairy products (14.1): | 5.00000 | 25.00000 | |
| Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): | 10.00000 | 50.00000 | |
| Ready-to-eat savouries (15.0): | 20.00000 | 100.00000 | |
| Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): | 5.00000 | 25.00000 | |
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) View page or View pdf | |
| Flavouring Group Evaluation 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5 View page or View 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) View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 65405-80-3 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 16220110 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 3 |
| [(Z)-hex-3-enyl] (E)-but-2-enoate | |
| Chemidplus: | 0065405803 |
References:
| [(Z)-hex-3-enyl] (E)-but-2-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 16220110 |
| Pubchem (sid): | 135061834 |
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): | HMDB32319 |
| FooDB: | FDB009569 |
| Export Tariff Code: | 2916.19.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| green | FR | |
| herbal | FR | |
| hyacinth | FR | |
| hydrangea | FR | |
| narcissus | FR | |
| sweet pea | FR | |
| vegetable | FL |
Occurrence (nature, food, other): note
| mango fruit Search Trop Picture | |
| passion fruit Search Trop Picture | |
| wine Search Picture |
Synonyms:
| (2E)-2- | butenoic acid (3Z)-3-hexenyl ester |
| 2- | butenoic acid, (3Z)-3-hexen-1-yl ester, (2E)- |
| 2- | butenoic acid, (3Z)-3-hexenyl ester, (2E)- |
| crotonic acid cis-3-hexen-1-yl ester | |
| (3Z)- | hex-3-en-1-yl (2E)-but-2-enoate |
| [(Z)- | hex-3-enyl] (E)-but-2-enoate |
| (Z)-3- | hexen-1-yl (E)-2-butenoate |
| cis-3- | hexen-1-yl crotonate |
| cis-3- | hexen-1-yl trans-2-butenoate |
| cis-3- | hexen-1-yl trans-crotonate |
| (Z)-3- | hexenyl (E)-2-butenoate |
| (3Z)- | hexenyl (E)-but-2-enoate |
| (Z)-3- | hexenyl (E)-crotonate |
| (Z)-3- | hexenyl crotonate |
| C3 | hexenyl crotonate |
| cis-3- | hexenyl crotonate |
| cis-3- | hexenyl trans-2-butenoate |
| cis-3- | hexenyl trans-crotonate |
| hexenyl-cis-3-crotonate | |
| pipyl crotonate |