Articles:
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cis-3-hexenal, diethyl acetal
Notes:
For natural green apple blends.
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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 News Products List: View Product(s): 320 cis-3-HEXENAL DIETHYL ACETAL ≥95.0% (cis), Kosher Used mostly in fruity compositions.
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| (Z)-1,1-diethoxyhex-3-ene (Click)
IUPAC Name: (Z)-1,1-diethoxyhex-3-ene
Std.InChI: InChI=1S/C10H20O2/c1-4-7-8-9-10(11-5-2)12-6-3/h7-8,10H,4-6,9H2,1-3H3/b8-7-
InChI: InChI=1/C10H20O2/c1-4-7-8-9-10(11-5-2)12-6-3/h7-8,10H,4-6,9H2,1-3H3/b8-7-
Std.InChIKey: IOBHVJHSBREPFR-FPLPWBNLSA-N
InChIKey: IOBHVJHSBREPFR-FPLPWBNLBT
SMILES: CC/C=C\CC(OCC)OCC
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| CAS Number: | 73545-18-3 | 
|
| % from: | 95.00% to 99.90% | |
| ECHA EINECS - REACH Pre-Reg: | 277-532-7 | |
| Nikkaji Web: | J261.064G | |
| XlogP3-AA: | 2.60 (est) | |
| Molecular Weight: | 172.26780000 | |
| Formula: | C10 H20 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| Also(can) Contains: | (E)-3-hexenal diethyl acetal 0.10% to 5.00% | |
| EFSA/JECFA Comments: | CASrn in Register refers to the (Z)-isomer. | |
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 |
| Flavis Number: | 06.063 (Old) |
| DG SANTE Food Flavourings: | 06.063 (Z)-1,1-diethoxyhex-3-ene |
Physical Properties:
Organoleptic Properties:
| Odor Type: green | |
| Odor Strength: | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity: | 4 Hour(s) |
| natural apple juicy | |
| Odor Description: at 10.00 % in dipropylene glycol. | natural apple juice |
| Odor and/or flavor descriptions from others (if found). | |
| Bedoukian Research | |
| cis-3-HEXENAL DIETHYL ACETAL ≥95.0% (cis), Kosher | |
| Odor Description: | A green apple, spicy odor with natural connotations Used mostly in fruity compositions. |
Cosmetic Information:
| None found |
Suppliers:
| Bedoukian Research |
| cis-3-HEXENAL DIETHYL ACETAL
≥95.0% (cis), Kosher Odor: A green apple, spicy odor with natural connotations Use: Used mostly in fruity compositions. |
| BOC Sciences |
| For experimental / research use only. |
| (Z)-3-Hexenal Diethyl Acetal 97.0%(GC) |
| Reincke & Fichtner |
| cis-3-Hexenal Diethyl Acetal |
| ZEON Chemicals |
| cis-3-Hexenal DEA |
Safety Information:
| European information : | |
| Most important hazard(s): | |
| Xn - Harmful. | |
|
R 22 - Harmful if swallowed. R 43 - May cause sensitisation by skin contact. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. 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 | ||
| Recommendation for (Z)-3-hexenal diethyl acetal usage levels up to: | |||
| 3.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.097 (μg/capita/day) | ||
| Modified Theoretical Added Maximum Daily Intake (mTAMDI): | 3900 (μg/person/day) | ||
| Threshold of Concern: | 1800 (μg/person/day) | ||
| Structure Class: | I | ||
| 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 | |
| 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): | |
| 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, 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 | |
| EPI System: | View |
| EPA Substance Registry Services (TSCA): | 73545-18-3 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 5364291 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 1993 |
| WGK Germany: | 2 |
| (Z)-1,1-diethoxyhex-3-ene | |
| Chemidplus: | 0073545183 |
References:
| (Z)-1,1-diethoxyhex-3-ene | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 73545-18-3 |
| Pubchem (cid): | 5364291 |
| Pubchem (sid): | 135121266 |
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 |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 2911.00.5000 |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| apple | FR | |
| fruit | FR | |
| green | FR | |
| spice | FR |
Occurrence (nature, food, other): note
| not found in nature |
Synonyms:
| (Z)-1,1- | diethoxyhex-3-ene |
| cis-1,1- | diethoxyhex-3-ene |
| (Z)-3- | hexen-1-al diethyl acetal |
| cis-3- | hexen-1-al diethyl acetal |
| cis-3- | hexenal DEA |
| cis-3- | hexenal diethyl acetal |
| cis-3- | hexenal, diethyl acetal |
| 3- | hexene, 1,1-diethoxy-, (3Z)- |
| 3- | hexene, 1,1-diethoxy-, (Z)- |