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General Material Information

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
  • 1,3-cyclohexadiene-1-carboxaldehyde, 2,6,6-trimethyl-
  • dehydro beta-cyclocitral
  • dehydro-beta-cyclocitral
  • 3,4-didehydro-7-apo-b-caroten-7-al
  • 2,3-dihydro-2,2,6-trimethyl benzaldehyde
  • 2,3-dihydro-2,2,6-trimethyl-benzaldehyde
  • 2,3-dihydro-2,2,6-trimethylbenzaldehyde
  • safralan
  • safranal P (Givaudan)
  • 2,6,6-trimethyl cyclohexa-1,3-dienyl methanal
  • (2,6,6-trimethyl cyclohexa-1,3-dienyl) methanal
  • 2,6,6-trimethyl-1-cyclohexa-1,3-dienecarboxaldehyde
  • 2,2,6-trimethyl-1,3-cyclohexadien-1-carboxaldehyde
  • 2,6,6-trimethyl-1,3-cyclohexadienal
  • 2,6,6-trimethyl-1,3-cyclohexadiene-1-carbaldehyde
  • 2,6,6-trimethyl-1,3-cyclohexadiene-1-carboxaldehyde
  • 2,6,6-trimethyl-1,3-cyclohexadienecarbaldehyde
  • 1,1,3-trimethyl-2-formyl cyclohexa-2,4-diene
  • 1,1,3-trimethyl-2-formylcyclohexa-2,4-diene
  • 2,2,6-trimethyl-4,6-cyclohexadien-1-aldehyde
  • 2,2,6-trimethyl-4,6-cyclohexadien-1-carboxaldehyde
  • 2,6,6-trimethylcyclohexa-1,3-dien-1-carboxaldehyde
  • 2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde
  • 2,6,6-trimethylcyclohexa-1,3-dienyl methanal
  • 2,6,6-trimethylcyclohexa-1,3-dienyl-methanal
  • (2,6,6-trimethylcyclohexa-1,3-dienyl)methanal
  • 2,6,6-trimethylcyclohexa-1,3-dienylmethanal
  • 2,6,6-trimethylcyclohexa-1,3-diene-1-carbaldehyde
  • 1,3-Cyclohexadiene-1-carboxaldehyde, 2,6,6-trimethyl-
  • 2,6,6-Trimethyl-1,3-cyclohexadiene-1-carboxaldehyde
  • 2,2,6-Trimethyl-4,6-cyclohexadien-1-aldehyde
  • 2,6,6-Trimethyl-1,3-cyclohexadiene-1-aldehyde
  • 2,6,6-Trimethylcyclohexa-1,3-dienecarboxaldehyde
  • 2,6,6-Trimethylcyclohexa-1,3-dienecarbaldehyde
  • 2,3-Dihydro-2,2,6-trimethylbenzaldehyde

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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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
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

PhysChem Properties

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

Organoleptic Properties

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

Occurrences

Safety Information

Safety information

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

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
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 ppmaverage 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: --

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):

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