Preferred name | beta-cyclocitral |
Trivial Name | β-Cyclocitral |
Short Description | 2,6,6-trimethyl-1&2-cyclohexen-1-carboxaldehyde |
Formula | C10 H16 O |
CAS Number | 432-25-7 |
FEMA Number | 3639 |
Flavis Number | 5.121 |
ECHA Number | 207-081-3 |
FDA UNII | 77Y0U2X29G |
Nikkaji Number | J127.248I |
MDL | MFCD00079078 |
COE Number | 11849 |
xLogP3-AA | 2.40 (est) |
NMR Predictor | External link |
JECFA Food Flavoring | 979 2,6,6-trimethyl-1&2-cyclohexen-1-carboxaldehyde |
FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
FDA Mainterm | 977045-71-8 ; 2,6,6-TRIMETHYL-1 AND 2-CYCLOHEXEN-1-CARBOXALDEHYDE |
Synonyms |
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Perfumer & Flavorists | Start search |
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NCBI | Start search |
2,6,6-trimethylcyclohexene-1-carbaldehyde | |
NIST Chemistry WebBook: | Search Inchi |
Canada Domestic Sub. List: | 432-25-7 |
Pubchem (cid): | 9895 |
Pubchem (sid): | 134974161 |
Flavornet: | 432-25-7 |
Pherobase: | View |
(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 |
CHEBI: | View |
CHEMBL: | View |
KEGG (GenomeNet): | C20425 |
HMDB (The Human Metabolome Database): | HMDB41011 |
FooDB: | FDB020874 |
Export Tariff Code: | 2912.19.0000 |
Typical G.C. | |
VCF-Online: | VCF Volatile Compounds in Food |
ChemSpider: | View |
Material listed in food chemical codex | No |
Molecular weight | 152.23672485352 |
Specific gravity | @ 25 °C |
Pounds per Gallon | 7.905 to 7.963 |
Refractive Index | 1.476 to 1.483 @ 20 °C |
Boiling Point | 62 to 63°C @ 3 mm Hg |
Boiling Point | 211 to 212°C @ 760 mm Hg |
Vapor Pressure | 0.176 mmHg @ 25 °C |
Flash Point TCC Value | 76.67 °C TCC |
logP (o/w) | 3.1 est |
Solubility | |
alcohol | Yes |
water, 86.14 mg/L @ 25 °C (est) | Yes |
Odor Type: Tropical | |
tropical, saffron, herbal, clean, rose, sweet, tobacco, green, fruity | |
Odor strength | high , recommend smelling in a 10.00 % solution or less |
Substantivity | 85 hour(s) at 100.00 % |
Luebke, William tgsc, (2009) | At 10.00 % in dipropylene glycol. tropical saffron herbal clean rose oxide sweet tobacco damascone fruity |
Flavor Type: Tropical | |
tropical, saffron, herbal, tobacco, medicinal, phenolic, leathery, green | |
Luebke, William tgsc, (2009) | Tropical saffron herbal tobacco medicinal phenolic leathery green |
(data available) |
Preferred SDS: View | |
European information : | |
Most important hazard(s): | |
Xn - Harmful. | |
R 20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. R 26/27/28 - Very toxic by inhalation, in contact with skin and if swallowed. 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 36/37/39 - Wear suitable clothing, 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 |
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 beta-cyclocitral usage levels up to: | |||
2.0000 % in the fragrance concentrate. | |||
Maximised Survey-derived Daily Intakes (MSDI-EU): | 0.37 (μg/capita/day) | ||
Maximised Survey-derived Daily Intakes (MSDI-USA): | ND (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: 12 | |||
Click here to view publication 12 | |||
average usual ppm | average maximum ppm | ||
baked goods: | - | 0.06000 | |
beverages(nonalcoholic): | - | 0.02000 | |
beverages(alcoholic): | - | - | |
breakfast cereal: | - | - | |
cheese: | - | - | |
chewing gum: | - | 0.50000 | |
condiments / relishes: | - | - | |
confectionery froastings: | - | 0.05000 | |
egg products: | - | - | |
fats / oils: | - | - | |
fish products: | - | - | |
frozen dairy: | - | - | |
fruit ices: | - | 0.10000 | |
gelatins / puddings: | - | 0.05000 | |
granulated sugar: | - | - | |
gravies: | - | - | |
hard candy: | - | 0.10000 | |
imitation dairy: | - | - | |
instant coffee / tea: | - | - | |
jams / jellies: | - | 0.05000 | |
meat products: | - | - | |
milk products: | - | - | |
nut products: | - | - | |
other grains: | - | - | |
poultry: | - | - | |
processed fruits: | - | - | |
processed vegetables: | - | - | |
reconstituted vegetables: | - | - | |
seasonings / flavors: | - | - | |
snack foods: | - | - | |
soft candy: | - | 0.05000 | |
soups: | - | - | |
sugar substitutes: | - | - | |
sweet sauces: | - | - |
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): |
Scientific Opinion on Flavouring Group Evaluation 208 Revision 1 (FGE.208Rev1): Consideration of genotoxicity data on representatives for 10 alicyclic aldehydes with the a,ß-unsaturation in ring / side-chain and precursors from chemical subgroup 2.2 of View page or View pdf |
Scientific Opinion on Flavouring Group Evaluation 208 Revision 2 (FGE.208Rev2): Consideration of genotoxicity data on alicyclic aldehydes with a,ß-unsaturation in ring/side-chain and precursors from chemical subgroup 2.2 of FGE.19 View page or View pdf |
Scientific Opinion on Flavouring Group Evaluation 208 Revision 3 (FGE.208Rev3): consideration of genotoxicity data on alicyclic aldehydes with a,ß-unsaturation in ring/side-chain and precursors from chemical subgroup 2.2 of FGE.19 View page or View pdf |
EPI System: View |
AIDS Citations:Search |
Cancer Citations:Search |
Toxicology Citations:Search |
EPA Substance Registry Services (TSCA):432-25-7 |
EPA ACToR:Toxicology Data |
EPA Substance Registry Services (SRS):Registry |
Laboratory Chemical Safety Summary :9895 |
National Institute of Allergy and Infectious Diseases:Data |
WGK Germany:3 |
2,6,6-trimethylcyclohexene-1-carbaldehyde |
Chemidplus:0000432257 |