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    General Material Information
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    Organoleptic Properties
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methyl citronellate

Chemical Structure

General Material Information

Preferred name methyl citronellate
Trivial Name Methyl (±)-citronellate
Short Description methyl 3,7-dimethyl-6-octenoate
Formula C11 H20 O2
CAS Number 2270-60-2
FEMA Number 3361
Flavis Number 9.517
ECHA Number 218-874-9
FDA UNII 6J2YGF6EUY
Nikkaji Number J99.450B
COE Number 10781
xLogP3-AA 3.30 (est)
NMR Predictor External link
JECFA Food Flavoring 354 methyl 3,7-dimethyl-6-octenoate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 2270-60-2 ; METHYL 3,7-DIMETHYL-6-OCTENOATE
Synonyms
  • citronellic acid methyl ester
  • 3,7-dimethyl-6-octenoic acid methyl ester
  • methyl 3,7-dimethyl oct-6-enoate
  • methyl 3,7-dimethyl-6-octenoate
  • methyl 3,7-dimethyloct-6-enoate
  • methyl rhodinolate
  • 6-octenoic acid, 3,7-dimethyl-, methyl ester
  • 6-Octenoic acid, 3,7-dimethyl-, methyl ester
  • Citronellic acid, methyl ester
  • Methyl (±)-citronellate

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

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Literature & References

methyl 3,7-dimethyloct-6-enoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:2270-60-2
Pubchem (cid):61290
Pubchem (sid):135017301
Pherobase:View
Publications by US Patents
7,927,643 - Compositions of oxo-terpene derivatives and process for preparing the same
Compositions of oxo-terpene derivatives and process for preparing the same

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
CHEMBL:View
HMDB (The Human Metabolome Database):HMDB37225
FooDB:FDB016232
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 184.27879333496
Specific gravity @ 25 °C
Pounds per Gallon 7.464 to 7.547
Refractive Index 1.437 to 1.443 @ 20 °C
Vapor Pressure 0.078 mmHg @ 25 °C
Flash Point TCC Value 76.11 °C TCC
logP (o/w) 3.687 est
Solubility
alcohol Yes
dipropylene glycol Yes
water, very slightly Yes
water, 17.56 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Floral
floral, dry, weedy, dusty, waxy, geranium, fatty, fruity, winey, sweet
Luebke, William tgsc, (2017) At 10.00 % in dipropylene glycol. floral dry weedy dusty waxy geranium fatty fruity winey
Mosciano, Gerard P&F 26, No. 2, 40, (2001) At 1.00 %. Sweet geranium floral and waxy, with winey and fruity nuances
Flavor Type: Floral
floral, waxy, tea, bergamot, rose, winey, weedy, geranium, soapy, cognac
Luebke, William tgsc, (2017) Floral waxy tea bergamot rose winey weedy
Mosciano, Gerard P&F 26, No. 2, 40, (2001) At 1.00 - 25.00 ppm. Floral with rosy bergamot and geranium notes, waxy and soapy, cognac and winey nuances

Occurrences

Potential Uses

Applications
Odor purposes Apple, Apricot, Bergamot, Citrus, Cognac, Pear, Rose tea rose, Wine

Safety Information

Safety information

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
Recommendation for methyl citronellate usage levels up to:
3.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.13 (μg/capita/day)
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: -3.00000
beverages(nonalcoholic): -1.50000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: -1.50000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: --
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 6 (FGE.06): Straight-and branched-chain aliphatic unsatured primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4
View page or View pdf

Flavouring Group Evaluation 6, Revision 1 (FGE.06Rev1) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):2270-60-2
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61290
National Institute of Allergy and Infectious Diseases:Data
methyl 3,7-dimethyloct-6-enoate
Chemidplus:0002270602