Articles:
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(Z)-3-hexenyl (E)-2-hexenoate
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): 10571 (Z)-3-Hexen-1-yl (E)-2-hexenoate
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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): 53398-87-1 C3 HEXENYL T2 HEXENOATE
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FCI SAS Inspired by Nature At FCI customer service is not a department it’s an attitude. Our team is composed of motivated professionals with great experience in the flavours and fragrances market. Our company has been serving this industry for more than 40 years and is ISO 9001 certified since 2009 . Whatever your question on flavour and fragrance ingredients: commercial, technical or regulatory – we will answer it very quickly. Email: Info Email: Philippe Faucher US Email: USA Sales Email: Germany Sales Email: Italy Sales Email: Japan Sales Voice: +33 (0)1 34 25 58 10 Fax: + 33 1 34 25 58 18 About Us Product(s): 12188 CIS-3-HEXENYL TRANS-2-HEXENOATE
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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): 08-33405 CIS-3-HEXENYL TRANS-2-HEXENOATE
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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): (Z)-3-Hexenyl (E)-2-hexenoate
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| CAS Number: | 53398-87-1 |  3D/inchi
|
| FDA UNII: | S3878T105H | |
| Nikkaji Web: | J102.181H | |
| CoE Number: | 9568 | |
| XlogP3-AA: | 3.70 (est) | |
| Molecular Weight: | 196.28980000 | |
| Formula: | C12 H20 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| EFSA/JECFA Comments: | JECFA evaluated 3-hexenyl 2-hexenoate (CASrn as in Register). Register CASrn refers to the (3Z,2E)-isomer. CASrn in Register refers to (Z)-isomer in alcohol moiety & (E)-isomer in acid moiety. Register name to be changed to Hex-(3Z)-enyl hex-(2E)-enoate. Acc. to JECFA: Min. assay value "86 %" . Acc. To EFFA: “Min assay value 86 % main component and secondary components 3-hexenyl 3-hexenoate (6-7 %) and 1-hexenyl 2-hexenoate (4-5 %)". | |
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: | 1279 (Z)-3-hexenyl (E)-2-hexenoate |
| DG SANTE Food Flavourings: | 09.568 (3Z)-hexenyl (E)-hexenoate |
| FEMA Number: | 3928 (Z)-3-hexenyl (E)-2-hexenoate |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 53398-87-1 ; (Z)-3-HEXENYL (E)-2-HEXENOATE |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 95.00 to 100.00 % |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.89700 to 0.90500 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.464 to 7.531 |
| Refractive Index: | 1.45300 to 1.46100 @ 20.00 °C. |
| Boiling Point: | 114.00 to 115.00 °C. @ 15.00 mm Hg |
| Acid Value: | 1.00 max. KOH/g |
| Vapor Pressure: | 0.010000 mmHg @ 25.00 °C. (est) |
| Flash Point: | 243.00 °F. TCC ( 117.22 °C. ) |
| logP (o/w): | 4.313 (est) |
| Soluble in: | |
| alcohol | |
| water, 8.588 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: green | |
| green grassy fruity tropical pear kiwi berry artichoke | |
| Odor Description: at 100.00 %. | green grassy fruity tropical pear kiwi berry artichoke Luebke, William tgsc, (2017) |
| Flavor Type: fruity | |
| fruity green kiwi pear tropical herbal asparagus artichoke | |
| Taste Description: | fruity green kiwi pear tropical herbal artichoke tea Luebke, William tgsc, (2017) |
| Odor and/or flavor descriptions from others (if found). | |
| FCI SAS | |
| CIS-3-HEXENYL TRANS-2-HEXENOATE | |
| Odor Description: | Fruity pear-like |
| Taste Description: | Tea-like taste with a fruity pear topnot |
Cosmetic Information:
| None found |
Suppliers:
| Beijing Lys Chemicals |
| (Z)-3-Hexen-1-yl (E)-2-hexenoate |
| BOC Sciences |
| For experimental / research use only. |
| C3 HEXENYL T2 HEXENOATE |
| Carbosynth |
| For experimental / research use only. |
| (2E)-2-Hexenoic acid (3Z)-3-hexenyl ester |
| FCI SAS |
| CIS-3-HEXENYL TRANS-2-HEXENOATE
Odor: Fruity pear-like Flavor: Tea-like taste with a fruity pear topnot |
| Kingchem Laboratories |
| C3 HEXENYL T2 HEXENOATE
Odor: Fruity pear-like |
| Parchem |
| (Z)-3-hexen-1-yl (E)-2-hexenoate |
| Penta International |
| CIS-3-HEXENYL TRANS-2-HEXENOATE |
| WholeChem |
| (Z)-3-Hexenyl (E)-2-hexenoate |
Safety Information:
| 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)-2-hexenoate usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.12 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.10 (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: 19 | |||
| Click here to view publication 19 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | 20.00000 | 80.00000 | |
| beverages(nonalcoholic): | 4.00000 | 80.00000 | |
| beverages(alcoholic): | 20.00000 | 150.00000 | |
| breakfast cereal: | 4.00000 | 40.00000 | |
| cheese: | - | - | |
| chewing gum: | 80.00000 | 300.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | 10.00000 | 80.00000 | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 20.00000 | 150.00000 | |
| fruit ices: | 10.00000 | 100.00000 | |
| gelatins / puddings: | 10.00000 | 80.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | 20.00000 | 150.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | 8.00000 | 150.00000 | |
| jams / jellies: | 20.00000 | 150.00000 | |
| meat products: | - | - | |
| milk products: | 4.00000 | 80.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | 20.00000 | 150.00000 | |
| soft candy: | 20.00000 | 150.00000 | |
| soups: | - | - | |
| sugar substitutes: | - | - | |
| sweet sauces: | - | - | |
| 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): | 10.00000 | 50.00000 | |
| 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): | |
| Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to Flavouring Group Evaluation 5: Esters of 23 branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and 24 branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 View page or View pdf | |
| Flavouring Group Evaluation 5, Revision 1 (FGE.05Rev1):Esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf | |
| 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 ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 5367679 |
| National Institute of Allergy and Infectious Diseases: | Data |
| [(Z)-hex-3-enyl] (E)-hex-2-enoate | |
| Chemidplus: | 0053398871 |
References:
| [(Z)-hex-3-enyl] (E)-hex-2-enoate | |
| NIST Chemistry WebBook: | Search Inchi |
| Pubchem (cid): | 5367679 |
| Pubchem (sid): | 135314705 |
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): | HMDB38280 |
| FooDB: | FDB017578 |
| Typical G.C. | |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| fruit | FR | |
| fruit tropical fruit | FL | |
| green | FR | |
| hyacinth | FR | |
| osmanthus | FR | |
| sweet pea | FR |
Occurrence (nature, food, other): note
| tea green tea Search Trop Picture | |
| witch hazel leaf oil @ trace% Data GC Search Trop Picture |
Synonyms:
| trans- | hex-2-enoic acid cis-hex-3-enyl ester |
| (3Z)- | hex-3-en-1-yl (2E)-hex-2-enoate |
| [(Z)- | hex-3-enyl] (E)-hex-2-enoate |
| cis-3- | hexen-1-yl trans-2-hexenoate |
| 2- | hexenoic acid, (3Z)-3-hexen-1-yl ester, (2E)- |
| 2- | hexenoic acid, 3-hexenyl ester, (E,Z)- |
| (Z)-3- | hexenyl (E)-2-hexenoate |
| (3Z)- | hexenyl (E)-hexenoate |
| C3 | hexenyl T2 hexenoate |
| cis-3- | hexenyl trans-2-hexenoate |