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(Z+E)-3-hexenal
Notes:
Used as a food additive [EAFUS]
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Bedoukian Research, Inc. Perfecting the Art of Chemistry Working closely with our customers to meet their requirements. Dr. Paul Bedoukian founded the company in 1972 to fill a niche as a supplier of high quality specialty aroma molecules. Today, we offer more than 350 high impact aroma chemicals, while providing custom manufacturing services to the pharmaceutical, agrochemical, and specialty chemical industries. US Email: Customer Service US Email: Customer Service US Voice: 1-203-830-4000 US Fax: 1-203-830-4010 Instagram Linkedin Recent News Products List: View Product(s): 376 3-HEXENAL MIXTURE (50% IN TRIACETIN) ≥80.0% (sum of isomers), Kosher SDS A good modifier that imparts natural topnotes to fruity floral types.
Excellent topnote for a variety of flavors especially seedy notes for raspberry, fresh notes to apple, other fruits, and berries, and adds fresh green notes to tomato and other vegetables.
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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): 4440-65-7 3-Hexenal
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M&U International LLC Steady supply & demand Meeting customers increasing demands at home as well as abroad. M&U dedicates itself to the development and production of new products as well as continuously promoting those new products. We’ve maintained a steady supply&demand relationship with a large number of manufacturers at home and abroad. We’ve developed an extensive network and because of our relationships with these manufacturers, we’re able to provide a stable supply of great quality materials. We’re located in China’s largest communications hub, Shanghai and in the U.S. near one of the largest sea ports on the East Coast. The strategic locations of our facilities ensure convenient, prompt and secure delivery of our products to our customers. Email: Sales US Email: Sales Voice: +86-21-32515501 60762991 60762992 Fax: +86-21-32515502 64204960 US Voice: 908-359-9000 US Fax: 908-359-9002 News Product(s): A0478 3-HEXENAL MIXTURE
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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): 08-25900 3-HEXENAL (50% IN TRIACETIN) (CIS,TRANS MIXTURE)
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Taytonn ASCC Pte Ltd Supplying Asia Pacific We fully understand the demands of the F&F industry and we endeavour to supply quality products, with ready availability and a personalised service. Since 2001 TAYTONN has been distributing key ingredients to the Fragrance and Flavor industry in Asia. We work closely with customers, principals and vendors. Together we forecast demand and match it with supply of aroma chemicals, essential oils and natural isolates & extracts. Sourced from around the world, our F&F ingredient inventory in Singapore is ready to ship to any location in Asia and beyond. Time and again, we help our principals introduce new discoveries to the F&F market - stimulating creativity and bringing value added proposition to our customers. Email: Info Email: Sales Voice: + 65 - 6861 8113 Fax: + 65 - 6861 8115 Linkedin Product(s): 3-Hexenal Mixture (50% in Triacetin)
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| CAS Number: | 4440-65-7 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 224-659-0 | |
| FDA UNII: | 3300F8DZ5A | |
| CoE Number: | 5192 | |
| XlogP3-AA: | 1.10 (est) | |
| Molecular Weight: | 98.14490000 | |
| Formula: | C6 H10 O | |
| NMR Predictor: | Predict (works with chrome, Edge or firefox) | |
| Also(can) Contains: | (E)-3-hexenal | |
| (Z)-3-hexenal | ||
| EFSA/JECFA Comments: | At least 80% (total of cis- and trans-isomers); secondary component 18-20% trans-2-hexenal. (EFSA) CASrn does not specify stereoisomers. According to JECFA: Min. assay value is "80 (total of cis & trans isomers)" and secondary compounds "trans-2-hexenal". Stereoisomeric composition and composition of mixture to be specified. | |
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: | 1271 3-hexenal |
| DG SANTE Food Flavourings: | 05.192 3-hexenal |
| FDA Mainterm (SATF): | 4440-65-7 ; 3-HEXENAL |
Physical Properties:
| Appearance: | colorless clear liquid (est) |
| Assay: | 80.00 to 100.00 % sum of isomers |
| Food Chemicals Codex Listed: | No |
| Boiling Point: | 57.00 °C. @ 28.00 mm Hg |
| Boiling Point: | 127.00 to 128.00 °C. @ 760.00 mm Hg |
| Vapor Pressure: | 11.202000 mmHg @ 25.00 °C. (est) |
| Vapor Density: | >1 ( Air = 1 ) |
| Flash Point: | 135.00 °F. TCC ( 57.22 °C. ) |
| logP (o/w): | 1.432 (est) |
| Soluble in: | |
| alcohol | |
| water, 5261 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
Organoleptic Properties:
| Odor Type: green | |
| Odor Strength: | high , recommend smelling in a 1.00 % solution or less |
| Substantivity: | > 4 hour(s) at 100.00 % |
| leafy green tomato melon apple | |
| Odor Description: at 1.00 % in dipropylene glycol. | leafy green stem tomato melon apple |
| sharp leafy green vegetable tomato melon tropical | |
| Odor Description: at 1.00 %. | Sharp penetrating leafy green, vegetative stemmy with unripe tomato, melon and tropical nuances Mosciano, Gerard P&F 25, No. 5, 72, (2000) |
| Flavor Type: green | |
| aromatic green waxy vegetable green melon tomato cinnamon spicy | |
| Taste Description: at 1.00 - 10.00 ppm. | Strong, aromatic green, with waxy vegatative green melon and tomato nuances. And a hint of cinnamon spice Mosciano, Gerard P&F 25, No. 5, 72, (2000) |
| Odor and/or flavor descriptions from others (if found). | |
| Bedoukian Research | |
| 3-HEXENAL MIXTURE (50% IN TRIACETIN) ≥80.0% (sum of isomers), Kosher | |
| Odor Description: | Substantive and powerful fresh green apple note, with banana, pumpkin and parsley undertones A good modifier that imparts natural topnotes to fruity floral types. |
| Taste Description: | Sharp, green, grassy Excellent topnote for a variety of flavors especially seedy notes for raspberry, fresh notes to apple, other fruits, and berries, and adds fresh green notes to tomato and other vegetables. |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Suppliers:
| Bedoukian Research |
| 3-HEXENAL MIXTURE (50% IN TRIACETIN)
≥80.0% (sum of isomers), Kosher Odor: Substantive and powerful fresh green apple note, with banana, pumpkin and parsley undertones Use: A good modifier that imparts natural topnotes to fruity floral types. Flavor: Sharp, green, grassy Excellent topnote for a variety of flavors especially seedy notes for raspberry, fresh notes to apple, other fruits, and berries, and adds fresh green notes to tomato and other vegetables. |
| BOC Sciences |
| For experimental / research use only. |
| 3-Hexenal |
| M&U International |
| 3-HEXENAL MIXTURE |
| Parchem |
| 3-hexenal mixture (50% in Triacetin) |
| Penta International |
| 3-HEXENAL (50% IN TRIACETIN) (CIS,TRANS MIXTURE) |
| Taytonn ASCC |
| 3-Hexenal Mixture (50% in Triacetin)
Odor: Fruity, Grass, Green |
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: | |
|
oral-rat LD50 3000 mg/kg Excellent topnote for a variety of flavors especially seedy notes for raspberry, fresh notes to apple, other fruits, and berries, and adds fresh green notes to tomato and other vegetables. | |
| 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-hexenal usage levels up to: | |||
| 0.5000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 24.70 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 53.00 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | ND (μg/person/day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| Structure Class: | I | ||
| 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: | 4.00000 | 7.00000 | |
| beverages(nonalcoholic): | 1.00000 | 3.00000 | |
| beverages(alcoholic): | 0.20000 | 1.00000 | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | 1.00000 | 3.00000 | |
| fruit ices: | - | - | |
| gelatins / puddings: | 2.00000 | 3.00000 | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | - | |
| 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: | 3.50000 | 5.00000 | |
| 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) 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): | 4440-65-7 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 23234 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 1989 |
| WGK Germany: | 2 |
| hex-3-enal | |
| Chemidplus: | 0004440657 |
References:
| hex-3-enal | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 4440-65-7 |
| Pubchem (cid): | 23234 |
| Pubchem (sid): | 135062663 |
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): | HMDB31497 |
| FooDB: | FDB008083 |
| Export Tariff Code: | 3302.90.0050 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| apple | FR | |
| banana | FR | |
| celery | FR | |
| feyoa | ||
| ginger | FR | |
| green | FR | |
| guava | FR | |
| mandarin | FR | |
| melon | FR | |
| raspberry | FR | |
| strawberry | FR | |
| tomato | FL | |
| tropical | FL |
Occurrence (nature, food, other): note
| apple fruit Search PMC Picture | |
| banana fruit Search Trop Picture | |
| beer Search PMC Picture | |
| butter Search PMC Picture | |
| feyoa fruit Search PMC Picture | |
| ginger Search Trop Picture | |
| guava fruit Search Trop Picture | |
| mandarin fruit juice Search Trop Picture | |
| melon Search PMC Picture | |
| pepper sweet pepper Search PMC Picture | |
| raspberry red raspberry fruit Search Trop Picture | |
| strawberry wild strawberry fruit Search Trop Picture | |
| tomato Search Trop Picture |
Synonyms:
| hex-3-enal | |
| (Z+E)-3- | hexen-1-al |
| 3- | hexen-1-al |
| trans+cis-3- | hexen-1-al |
| (Z+E)-3- | hexenal |