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cis-4-heptenal diethyl acetal
Notes:
Flavouring ingredient used to impart cream or butter-like flavour
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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): 314 cis-4-HEPTENAL DIETHYL ACETAL ≥97.0% (sum of isomers), Kosher SDS For use in balsamic fragrances such as vanilla and cream.
A subtle cream note useful in vanilla and dairy applications.
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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): 18492-65-4 cis-4-HEPTENAL DIETHYL ACETAL 97.0% (sum of isomers)
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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): 08-11600 cis-4-HEPTENAL DIETHYL ACETAL
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| CAS Number: | 18492-65-4 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 242-376-0 | |
| FDA UNII: | 0U0N38Q28S | |
| Nikkaji Web: | J222.219A | |
| XlogP3-AA: | 3.00 (est) | |
| Molecular Weight: | 186.29474000 | |
| Formula: | C11 H22 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| Also(can) Contains: | (E)-4-heptenal diethyl acetal 19–21% | |
| EFSA/JECFA Comments: | CASrn in Register refers to (Z)-isomer. According to JECFA: Min. assay value is "97 % (sum of cis- and transisomers)". The chemical name should be changed to 1,1-diethoxyhept-(4Z)-ene and its CAS nr to (18492-65-4), to refect the stereochemical confguration of the favouring substance The purity requirement for the named compound [FL-no: 06.037] in the UL should be updated according to the specifcations provided (Documentation provided to EFSA n. 1) (Z)-isomer (75–79%) (E)-isomer (19–21%) | |
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: | 949 cis-4-heptenal diethyl acetal |
| DG SANTE Food Flavourings: | 06.037 1,1-diethoxy-cis-4-heptene |
| FEMA Number: | 3349 cis-4-heptenal diethyl acetal |
| FDA: | No longer provide for the use of these seven synthetic flavoring substances |
| FDA Mainterm (SATF): | 977044-50-0 ; 4-HEPTENAL DIETHYL ACETAL |
Physical Properties:
Organoleptic Properties:
| Odor Type: green | |
| Odor Strength: | medium |
| Substantivity: | 6 hour(s) at 100.00 % |
| green oily cucumber seedy waxy fatty creamy dry salty fishy | |
| Odor Description: at 100.00 %. | green oily cucumber seed waxy fatty creamy dry salt fishy Luebke, William tgsc, (2009) |
| green fruity waxy vegetable apple herbal | |
| Odor Description: | Green fruity, waxy, plant and vegetable like with an apple and herbal nuance Mosciano, Gerard P&F 16, No. 4, 45, (1991) |
| Flavor Type: green | |
| green dairy creamy apple vegetable strawberry | |
| Taste Description: at 20.00 ppm. | Green, dairy-like, creamy, apple, vagetable and strawberry Mosciano, Gerard P&F 16, No. 4, 45, (1991) |
| Odor and/or flavor descriptions from others (if found). | |
| Bedoukian Research | |
| cis-4-HEPTENAL DIETHYL ACETAL ≥97.0% (sum of isomers), Kosher | |
| Odor Description: | fatty, creamy For use in balsamic fragrances such as vanilla and cream. |
| Taste Description: | creamy A subtle cream note useful in vanilla and dairy applications. |
Cosmetic Information:
| None found |
Suppliers:
| Bedoukian Research |
| cis-4-HEPTENAL DIETHYL ACETAL
≥97.0% (sum of isomers), Kosher Odor: fatty, creamy Use: For use in balsamic fragrances such as vanilla and cream. Flavor: creamy A subtle cream note useful in vanilla and dairy applications. |
| BOC Sciences |
| For experimental / research use only. |
| cis-4-HEPTENAL DIETHYL ACETAL 97.0% (sum of isomers) |
| Penta International |
| cis-4-HEPTENAL DIETHYL ACETAL |
Safety Information:
| European information : | |
| Most important hazard(s): | |
| None - None found. | |
|
S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. | |
| 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)-4-heptenal diethyl acetal usage levels up to: | |||
| 2.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.037 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.00 (μg/capita/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: 6 | |||
| Click here to view publication 6 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 1.00000 | |
| beverages(nonalcoholic): | - | 1.00000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | 1.00000 | |
| cheese: | - | - | |
| chewing gum: | - | - | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | - | |
| fruit ices: | - | - | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | 1.00000 | |
| hard candy: | - | 1.00000 | |
| imitation dairy: | - | - | |
| instant coffee / tea: | - | - | |
| jams / jellies: | - | - | |
| meat products: | - | 1.00000 | |
| milk products: | - | 1.00000 | |
| nut products: | - | - | |
| other grains: | - | - | |
| poultry: | - | - | |
| processed fruits: | - | - | |
| processed vegetables: | - | - | |
| reconstituted vegetables: | - | - | |
| seasonings / flavors: | - | - | |
| snack foods: | - | - | |
| soft candy: | - | - | |
| soups: | - | 1.00000 | |
| 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): | |
| Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 3 (FGE.03); Acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated aldehydes, and a orthoester of formic acid, from chemical groups 1 and 2 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf | |
| Flavouring Group Evaluation 3, Revision 1 (FGE.03Rev1): Acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated or unsaturated aldehydes, an ester of a hemiacetal and an orthoester of formic acid, from chemical groups 1, 2 & 4 Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - Scientific Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)on a request from the Commission View page or View pdf | |
| Flavouring Group Evaluation 61 (FGE.61): Consideration of aliphatic acyclic acetals evaluated by JECFA (57th meeting) structurally related to acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated aldehydes, and an orthoester of formic acid evaluated by EFSA in FGE.03 (2004) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) View page or View pdf | |
| Flavouring Group Evaluation 61, Revision 1 (FGE.61Rev1): Consideration of aliphatic acetals evaluated by JECFA (57th meeting) structurally related to acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated aldehydes and one orthoester of formic acid evaluated View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 3, Revision 2 (FGE.03Rev2): Acetals of branched- and straight-chain aliphatic saturated primary alcohols and branched- and straight-chain saturated or unsaturated aldehydes, an ester of a hemiacetal and an orthoester of formic acid, from chemical groups 1, 2 and 4 View page or View pdf | |
| Scientific Opinion on Flavouring Group Evaluation 61 Revision 2 (FGE.61Rev2): consideration of aliphatic acetals evaluated by JECFA (57th, 63rd and 68th meetings) structurally related to acetals evaluated by EFSA in FGE.03Rev2 View page or View pdf | |
| EPI System: | View |
| AIDS Citations: | Search |
| Cancer Citations: | Search |
| Toxicology Citations: | Search |
| EPA Substance Registry Services (TSCA): | 18492-65-4 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 5369371 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WGK Germany: | 2 |
| (Z)-7,7-diethoxyhept-3-ene | |
| Chemidplus: | 0018492654 |
References:
| (Z)-7,7-diethoxyhept-3-ene | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 18492-65-4 |
| Pubchem (cid): | 5369371 |
| Pubchem (sid): | 135042539 |
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): | HMDB32306 |
| FooDB: | FDB017563 |
| Export Tariff Code: | 2911.00.5000 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| butterscotch | FR | |
| cookie | FL | |
| cream | FR | |
| fat | FL | |
| toffee | FR | |
| vanilla | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| 1,1- | diethoxy-cis-4-heptene |
| (Z)-7,7- | diethoxyhept-3-ene |
| cis-7,7- | diethoxyhept-3-ene |
| 1,1- | diethoxyhept-4-ene |
| (Z)-4- | hepten-1-al diethyl acetal |
| cis-4- | hepten-1-al diethyl acetal |
| cis-4- | heptenal diethyl acetal |
| 3- | heptene, 7,7-diethoxy-, (3Z)- |
| 3- | heptene, 7,7-diethoxy-, (Z)- |