Articles:
| PubMed: | Synthesis of chromenochalcones and evaluation of their in vitro antileishmanial activity. |
| PubMed: | An immunotoxicity assessment of food flavouring ingredients. |
Notes:
Modifier in delicate florals. Flavouring ingredient
| Fragrance Demo Formulas | ||
| Name: | 1,1-dimethoxy-3,7-dimethylocta-2,6-diene | |
| CAS Number: | 7549-37-3 |  3D/inchi
|
| ECHA EINECS - REACH Pre-Reg: | 231-434-0 | |
| FDA UNII: | 6ZOD5NW633 | |
| Beilstein Number: | 1706336 | |
| MDL: | MFCD00008909 | |
| FEMA Number: | 2305 | |
| CoE Number: | 39 | |
| XlogP3-AA: | 3.40 (est) | |
| Molecular Weight: | 198.30574000 | |
| Formula: | C12 H22 O2 | |
| NMR Predictor: | Predict (works with chrome or firefox) | |
| Also(can) Contains: | geranyl dimethyl acetal | |
| neryl dimethyl acetal | ||
| EFSA/JECFA Comments: | According to JECFA: Min. assay value is "(sum of isomers + hemiacetals + citral): 98 %". | |
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: | 944 citral dimethyl acetal |
| Flavis Number: | 06.005 (Old) |
| DG SANTE Food Flavourings: | 06.005 citral dimethyl acetal |
| FEMA Number: | 2305 citral dimethyl acetal |
| FDA Mainterm: | CITRAL DIMETHYL ACETAL |
| FDA Regulation: | |
| FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION Subpart F--Flavoring Agents and Related Substances Sec. 172.515 Synthetic flavoring substances and adjuvants. | |
Physical Properties:
| Appearance: | colorless to pale yellow clear liquid (est) |
| Assay: | 92.00 to 100.00 % sum of isomers |
| Additional Assay Information: | sum of Z and E isomers |
| Food Chemicals Codex Listed: | No |
| Specific Gravity: | 0.88650 to 0.90650 @ 25.00 °C. |
| Pounds per Gallon - (est).: | 7.377 to 7.543 |
| Specific Gravity: | 0.88600 to 0.89400 @ 20.00 °C. |
| Pounds per Gallon - est.: | 7.381 to 7.448 |
| Refractive Index: | 1.45040 to 1.47970 @ 20.00 °C. |
| Boiling Point: | 105.00 to 106.00 °C. @ 10.00 mm Hg |
| Boiling Point: | 197.00 to 199.00 °C. @ 760.00 mm Hg |
| Acid Value: | 2.00 max. KOH/g |
| Vapor Pressure: | 9.000000 mmHg @ 102.70 °C. |
| Vapor Density: | 6.8 ( Air = 1 ) |
| Flash Point: | 180.00 °F. TCC ( 82.22 °C. ) |
| logP (o/w): | 3.574 (est) |
| Shelf Life: | 24.00 month(s) or longer if stored properly. |
| Storage: | store in cool, dry place in tightly sealed containers, protected from heat and light. |
| Soluble in: | |
| alcohol | |
| dipropylene glycol | |
| water, 23.74 mg/L @ 25 °C (est) | |
| Insoluble in: | |
| water | |
| glycerin | |
| Stability: | |
| alkalis | |
| antiperspirant | |
| deo stick | |
| detergent perborate | |
| fabric softener | |
| hard surface cleaner | |
| shampoo | |
| soap | |
| Similar Items: note | |
| acetaldehyde dimethyl acetal | |
| acetyl acetaldehyde dimethyl acetal | |
| alpha-amyl cinnamaldehyde dimethyl acetal | |
| para-anisaldehyde dimethyl acetal | |
| butyraldehyde dimethyl acetal | |
| cinnamaldehyde dimethyl acetal | |
| citronellal dimethyl acetal | |
| citronellyl oxyacetaldehyde dimethyl acetal | |
| cyclamen aldehyde dimethyl acetal | |
| decanal dimethyl acetal | |
| dodecanal dimethyl acetal | |
| 2-ethyl hexanal dimethyl acetal | |
| heliotropyl dimethyl acetal | |
| heptanal dimethyl acetal | |
| hexanal dimethyl acetal | |
| (Z)-3-hexen-1-al dimethyl acetal | |
| (E)-2-hexen-1-al dimethyl acetal | |
| hexoxyacetaldehyde dimethyl acetal | |
| alpha-hexyl cinnamaldehyde dimethyl acetal | |
| hydroxycitronellal dimethyl acetal | |
| 2-methyl undecanal dimethyl acetal | |
| nonanal dimethyl acetal | |
| isononanal dimethyl acetal | |
| (Z)-6-nonen-1-al dimethyl acetal | |
| 2-nonyn-1-al dimethyl acetal | |
| octanal dimethyl acetal | |
| phenyl acetaldehyde dimethyl acetal | |
| 2-phenyl propionaldehyde dimethyl acetal | |
| 3-phenyl propionaldehyde dimethyl acetal | |
| propionaldehyde dimethyl acetal | |
| undecanal dimethyl acetal | |
| valeraldehyde dimethyl acetal | |
Organoleptic Properties:
| Odor Type: | citrus |
| Odor Strength: | medium |
| Odor Description: at 100.00 %. | green floral citric lemon lime natural |
| Substantivity: | 7 hour(s) at 100.00 % |
Cosmetic Information:
| CosIng: | cosmetic data |
| Cosmetic Uses: |
perfuming agents |
Safety Information:
| Most important hazard(s): | |
| Xi - Irritant | |
|
R 36/37/38 - Irritating to eyes, respiratory system, and skin. R 43 - May cause sensitisation by skin contact. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/37/39 - Wear suitable clothing, gloves and eye/face protection. | |
| Human Experience: | 4 % solution: no irritation or sensitization. |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in Use Information:
| Category: | flavor and fragrance agents | ||
| Recommendation for citral dimethyl acetal usage levels up to: | |||
| 15.0000 % in the fragrance concentrate. | |||
| Maximised Survey-derived Daily Intakes (MSDI-EU): | 2.60 (μg/capita/day) | ||
| Maximised Survey-derived Daily Intakes (MSDI-USA): | 5.00 (μg/capita/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: 3 | |||
| Click here to view publication 3 | |||
| average usual ppm | average maximum ppm | ||
| baked goods: | - | 60.00000 | |
| beverages(nonalcoholic): | - | 6.30000 | |
| beverages(alcoholic): | - | - | |
| breakfast cereal: | - | - | |
| cheese: | - | - | |
| chewing gum: | - | 15.00000 | |
| condiments / relishes: | - | - | |
| confectionery froastings: | - | - | |
| egg products: | - | - | |
| fats / oils: | - | - | |
| fish products: | - | - | |
| frozen dairy: | - | 11.00000 | |
| fruit ices: | - | 11.00000 | |
| gelatins / puddings: | - | - | |
| granulated sugar: | - | - | |
| gravies: | - | - | |
| hard candy: | - | 60.00000 | |
| 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: | - | - | |
| 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): | |
| 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, 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 | |
| Flavouring Group Evaluation 202: 3-Alkylated aliphatic acyclic alpha,beta-unsaturated aldehydes and precursors with or without additional double bonds from chemical subgroup 1.1.3 of FGE.19[1] 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): | 7549-37-3 |
| EPA ACToR: | Toxicology Data |
| EPA Substance Registry Services (SRS): | Registry |
| Laboratory Chemical Safety Summary : | 24191 |
| National Institute of Allergy and Infectious Diseases: | Data |
| WISER: | UN 1993 |
| WGK Germany: | 2 |
| 1,1-dimethoxy-3,7-dimethylocta-2,6-diene | |
| Chemidplus: | 0007549373 |
| RTECS: | RG5330000 for cas# 7549-37-3 |
References:
| 1,1-dimethoxy-3,7-dimethylocta-2,6-diene | |
| NIST Chemistry WebBook: | Search Inchi |
| Canada Domestic Sub. List: | 7549-37-3 |
| Pubchem (cid): | 24191 |
| Pubchem (sid): | 134988858 |
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 |
| FDA Everything Added to Food in the United States (EAFUS): | View |
| HMDB (The Human Metabolome Database): | HMDB40361 |
| FooDB: | FDB020090 |
| Export Tariff Code: | 2911.00.5000 |
| VCF-Online: | VCF Volatile Compounds in Food |
| ChemSpider: | View |
Potential Blenders and core components note
Potential Uses:
| abronia | FR | |
| agrumen aldehyde | FR | |
| aldehydic | FR | |
| apple | FR | |
| apple green apple | FR | |
| apricot | FR | |
| balsam | FR | |
| bergamot | FR | |
| blackberry | FR | |
| blueberry | FR | |
| cedrat | FR | |
| cherry | FR | |
| citronella | FR | |
| citrus | FR | |
| coconut tropical coconut | FR | |
| cologne | FR | |
| colonia | FR | |
| curacao | FL | |
| fir needle oil replacer | FR | |
| floral | FR | |
| flower shop | FR | |
| fresh and clean | FR | |
| fruit | FR | |
| gardenia | FR | |
| geranium | FR | |
| grapefruit | FR | |
| green | FR | |
| herbal | FR | |
| honeysuckle | FR | |
| hyacinth | FR | |
| jonquil | FR | |
| lemon | FR | |
| lemongrass | FR | |
| lime | FR | |
| linden flower | FR | |
| litsea cubeba | FL/FR | |
| magnolia | FR | |
| mandarin | FR | |
| melon | FR | |
| neroli | FR | |
| orange | FR | |
| orange blossom | FR | |
| passion fruit | FR | |
| peach | FR | |
| peel | ||
| petitgrain | FR | |
| petitgrain lemon petitgrain | FL/FR | |
| pineapple | FR | |
| raspberry | FR | |
| rose | FR | |
| rose red rose | FR | |
| rose tea rose | FR | |
| rose white rose | FR | |
| seedy | ||
| strawberry | FR | |
| topnotes | ||
| vanilla | FR | |
| verbena | FR | |
| woody | FR |
Occurrence (nature, food, other): note
| plumcot fruit Search PMC Picture | |
| valerian root oil china @ 0.33% Data GC Search Trop Picture |
Synonyms:
| 1,1- | dimethoxy-3,7-dimethyl-2,6-octadiene |
| 1,1- | dimethoxy-3,7-dimethylocta-2,6-diene |
| 3,7- | dimethyl-2,6-octadienal dimethyl acetal |
| 3,7- | dimethyl-2,6-octadienyl dimethyl acetal |
| 2,6- | octadiene, 1,1-dimethoxy-3,7-dimethyl- |