Preferred name | safranal |
Trivial Name | Safranal |
Short Description | 2,6,6-trimethylcyclohexa-1,3-dienyl methanal |
Formula | C10 H14 O |
CAS Number | 116-26-7 |
FEMA Number | 3389 |
Flavis Number | 5.104 |
ECHA Number | 204-133-7 |
FDA UNII | 4393FR07EA |
Nikkaji Number | J5.278G |
Beilstein Number | 1932918 |
MDL | MFCD00209531 |
COE Number | 10383 |
xLogP3-AA | 2.10 (est) |
NMR Predictor | External link |
JECFA Food Flavoring | 977 2,6,6-trimethylcyclohexa-1,3-dienyl methanal |
FDA Patent | No longer provide for the use of these seven synthetic flavoring substances |
FDA Mainterm | 116-26-7 ; 2,6,6-TRIMETHYLCYCLOHEXA-1,3-DIENYL METHANAL |
Synonyms |
|
Google Scholar | Start search |
Google Books | Start search |
Google Patents | Start search |
Perfumer & Flavorists | Start search |
EU Patents | Start search |
PubMeb | Start search |
NCBI | Start search |
2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde | |
NIST Chemistry WebBook: | Search Inchi |
Canada Domestic Sub. List: | 116-26-7 |
Pubchem (cid): | 61041 |
Pubchem (sid): | 135018718 |
Flavornet: | 116-26-7 |
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): | C17062 |
HMDB (The Human Metabolome Database): | HMDB36061 |
FooDB: | FDB014884 |
Export Tariff Code: | 2912.29.0000 |
Typical G.C. | |
VCF-Online: | VCF Volatile Compounds in Food |
ChemSpider: | View |
Wikipedia: | View |
Material listed in food chemical codex | No |
Molecular weight | 150.22077941895 |
Specific gravity | @ 25 °C |
Pounds per Gallon | 8.055 to 8.155 |
Specific gravity | @ 20 °C |
Pounds per Gallon | 8.064 to 8.164 |
Refractive Index | 1.525 to 1.533 @ 20 °C |
Vapor Pressure | 0.134 mmHg @ 25 °C |
Flash Point TCC Value | 85.56 °C TCC |
logP (o/w) | 2.825 est |
Solubility | |
alcohol | Yes |
water, 134.2 mg/L @ 25 °C (est) | Yes |
water | No |
Odor Type: Herbal | |
fresh, herbal, phenolic, metallic, rosemary, tobacco, spicy, woody, camphoreous, medicinal, powdery | |
Odor strength | high , recommend smelling in a 1.00 % solution or less |
Substantivity | 64 hour(s) at 100.00 % |
Luebke, William tgsc, (2009) | At 1.00 % in dipropylene glycol. fresh herbal phenolic metallic rosemary tobacco spicy |
Mosciano, Gerard P&F 19, No. 6, 53, (1994) | Woody, spicy, phenolic, camphoreous, medicinal and powdery with an herbal undernote |
Flavor Type: Woody | |
woody, medicinal, phenolic, spicy, camphoreous, fruity, herbal | |
Mosciano, Gerard P&F 19, No. 6, 53, (1994) | At 1.00 ppm. Woody, medicinal, phenolic, spicy and camphoreous with a fruity, herbal nuance |
Used in baked goods, jelly and candy. | Green |
General comment | Woody, medicinal, phenolic, spicy and camphoraceous with a fruity herbal nuance |
(data available) |
Preferred SDS: View | |
European information : | |
Most important hazard(s): | |
Xi - Irritant | |
R 36/38 - Irritating to skin and eyes. R 43 - May cause sensitisation by skin contact. S 02 - Keep out of the reach of children. 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 |
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 | |||
IFRA Critical Effect: | |||
Dermal sensitization | |||
IFRA fragrance material specification: | |||
2,6,6-Trimethylcyclohexa-1,3-dienyl methanal (Safranal) should not be used such that the level in consumer products exceeds 0.005 %. This is equivalent to 0.025% in a fragrance compound used at 20% in the consumer product. For use in consumer products for which no skin contact is foreseeable under normal conditions of use, e.g. closed system air freshners, toilet blocks but not rinse off products and household cleaning products, the level in the consumer product should not exceed 0.05%. This recommendation is based on test results showing sensitization reaction when tested at 0.1% and no sensitization reaction when tested at 0.05% in a Human Repeated Insult Patch Test (private communication to IFRA). | |||
View the IFRA Standard | |||
View IFRA Standards Library for complete information. | |||
Please review Amendment 49 IFRA documentation for complete information. | |||
IFRA RESTRICTION LIMITS IN THE FINISHED PRODUCT (%): | |||
Category 1: Products applied to the lips | |||
0.0022 % | |||
Category 2: Products applied to the axillae | |||
0.00066 % | |||
Category 3: Products applied to the face/body using fingertips | |||
0.013 % | |||
Category 4: Products related to fine fragrance | |||
0.012 % | |||
Category 5: Products applied to the face and body using the hands (palms), primarily leave-on | |||
Category 5A: Body lotion products applied to the body using the hands (palms), primarily leave-on | |||
0.0032 % | |||
Category 5B: Face moisturizer products applied to the face using the hands (palms), primarily leave-on | |||
0.0032 % | |||
Category 5C: Hand cream products applied to the hands using the hands (palms), primarily leave-on | |||
0.0032 % | |||
Category 5D: Baby Creams, baby Oils and baby talc | |||
0.0032 % | |||
Category 6: Products with oral and lip exposure | |||
0.0073 % | |||
Category 7: Products applied to the hair with some hand contact | |||
Category 7A: Rinse-off products applied to the hair with some hand contact | |||
0.025 % | |||
Category 7B: Leave-on products applied to the hair with some hand contact | |||
0.025 % | |||
Category 8: Products with significant anogenital exposure | |||
0.0013 % | |||
Category 9: Products with body and hand exposure, primarily rinse off | |||
0.024 % | |||
Category 10: Household care products with mostly hand contact | |||
Category 10A: Household care excluding aerosol products (excluding aerosol/spray products) | |||
0.087 % | |||
Category 10B: Household aerosol/spray products | |||
0.087 % | |||
Category 11: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate | |||
Category 11A: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure | |||
0.048 % | |||
Category 11B: Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure | |||
0.048 % | |||
Category 12: Products not intended for direct skin contact, minimal or insignificant transfer to skin | |||
No Restriction | |||
Notes: | |||
IFRA FLAVOR REQUIREMENTS: | |||
Due to the possible ingestion of small amounts of fragrance ingredients from their use in products in Categories 1 and 6, materials must not only comply with IFRA Standards but must also be recognized as safe as a flavoring ingredient as defined by the IOFI Code of Practice (www.iofi.org). For more details see chapter 1 of the Guidance for the use of IFRA Standards. | |||
Maximised Survey-derived Daily Intakes (MSDI-EU): | 3.50 (μg/capita/day) | ||
Maximised Survey-derived Daily Intakes (MSDI-USA): | 0.07 (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: | - | 10.00000 | |
beverages(nonalcoholic): | - | - | |
beverages(alcoholic): | - | - | |
breakfast cereal: | - | - | |
cheese: | - | - | |
chewing gum: | - | - | |
condiments / relishes: | - | 5.00000 | |
confectionery froastings: | - | - | |
egg products: | - | - | |
fats / oils: | - | - | |
fish products: | - | - | |
frozen dairy: | - | - | |
fruit ices: | - | - | |
gelatins / puddings: | - | - | |
granulated sugar: | - | - | |
gravies: | - | - | |
hard candy: | - | 5.00000 | |
imitation dairy: | - | - | |
instant coffee / tea: | - | - | |
jams / jellies: | - | 10.00000 | |
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: | - | - |
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): |
List of apha, beta-Unsaturated Aldehydes and Ketones representative of FGE.19 substances for Genotoxicity Testing [1] - Statement of the Panel on Food Contact Materials, Enzymes, Flavourings and Processing Aids (CEF) View page or View pdf |
Scientific Opinion on Flavouring Group Evaluation 209 (FGE.209): Consideration of gentoxocity data on one alpha,beta-unsaturated aldehyde from chemical subgroup 2.3 of FGE.19 by EFSA View page or View pdf |
Scientific Opinion on Flavouring Group Evaluation 73, Revision 1 (FGE.73Rev1): Consideration of alicyclic primary alcohols, aldehydes, acids and related esters evaluated by JECFA (59th meeting) structurally related to primary saturated or unsaturated alicyclic alcohol, aldehyde, and esters evaluated by EFSA in FGE.12Rev2 (2011) View page or View pdf |
Scientific Opinion on Flavouring Group Evaluation 73, Revision 2 (FGE.73Rev2): Consideration of alicyclic primary alcohols, aldehydes, acids and related esters evaluated by JECFA (59th meeting) structurally related to primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters evaluated by EFSA in FGE.12Rev3 (2012) View page or View pdf |
Scientific Opinion on Flavouring Group Evaluation 73, Revision 3 (FGE.73Rev3): Consideration of alicyclic alcohols, aldehydes, acids and related esters evaluated by JECFA (59th and 63rd meeting) structurally related to primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters evaluated by EFSA in FGE.12Rev4 (2013) View page or View pdf |
Scientific Opinion on Flavouring Group Evaluation 73, Revision 4 (FGE.73Rev4): consideration of alicyclic alcohols, aldehydes, acids and related esters evaluated by JECFA (59th and 63rd meeting) structurally related to primary saturated or unsaturated alicyclic alcohols, aldehydes, acids and esters evaluated by EFSA in FGE.12Rev5 View page or View pdf |
Scientific Opinion on Flavouring Group Evaluation 73, Revision 5 (FGE.73Rev5): consideration of alicyclic alcohols, aldehydes, acids and related esters evaluated by JECFA (59th, 63rd and 86th meeting) and structurally related to substances evaluated in FGE.12Rev5 View page or View pdf |
EPI System: View |
AIDS Citations:Search |
Cancer Citations:Search |
Toxicology Citations:Search |
EPA Substance Registry Services (TSCA):116-26-7 |
EPA ACToR:Toxicology Data |
EPA Substance Registry Services (SRS):Registry |
Laboratory Chemical Safety Summary :61041 |
National Institute of Allergy and Infectious Diseases:Data |
WGK Germany:3 |
2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde |
Chemidplus:0000116267 |