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citronellyl formate

Chemical Structure

General Material Information

Preferred name citronellyl formate
Trivial Name Citronellyl formate
Short Description 3,7-dimethyl-6-octen-1-yl formate
Formula C11 H20 O2
CAS Number 105-85-1
FEMA Number 2314
Flavis Number 9.078
ECHA Number 203-338-9
FDA UNII 7B1MY2BRDK
Nikkaji Number J2.854A
Beilstein Number 1723215
MDL MFCD00021050
COE Number 345
xLogP3-AA 3.80 (est)
NMR Predictor External link
JECFA Food Flavoring 53 citronellyl formate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 105-85-1 ; CITRONELLYL FORMATE
Synonyms
  • citronellyl formate extra FCC
  • citronellyl formate FCC
  • citronellyl formate natural
  • citronellyl formate pure
  • citronellyl formate pure FCC
  • citronellyl methanoate
  • citronellyle formiate
  • (1)-3,7-dimethyl oct-6-enyl formate
  • 2,6-dimethyl-2-octen-8-yl formate
  • 3,7-dimethyl-6-octen-1-ol formate
  • 3,7-dimethyl-6-octen-1-yl formate
  • 3,7-dimethyl-6-octen-1-yl methanoate
  • 3,7-dimethyloct-6-en-1-yl formate
  • (-)-3,7-dimethyloct-6-enyl formate
  • 3,7-dimethyloct-6-enyl formate
  • formic acid 3,7-dimethyl-6-octen-1-yl ester
  • formic acid citronellyl ester
  • formic acid, 3,7-dimethyl-6-octen-1-yl ester
  • formic acid, citronellyl ester
  • 6-octen-1-ol, 3,7-dimethyl-, formate
  • 3,7-dimethyloct-6-enyl formate
  • 6-Octen-1-ol, 3,7-dimethyl-, 1-formate
  • 6-Octen-1-ol, 3,7-dimethyl-, formate
  • Citronellol, formate
  • NSC 46117
  • 3,7-Dimethyl-6-octen-1-ol formate
  • 3,7-Dimethyl-6-octen-1-yl formate
  • 3,7-Dimethyloct-6-en-1-yl formate

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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):C12295
HMDB (The Human Metabolome Database):HMDB33371
FooDB:FDB011401
Export Tariff Code:2915.13.0000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 184.27879333496
Specific gravity @ 25 °C
Pounds per Gallon 7.406 to 7.514
Specific gravity @ 20 °C
Pounds per Gallon 7.423 to 7.489
Refractive Index 1.443 to 1.45 @ 20 °C
Boiling Point 97 to 98°C @ 11 mm Hg
Acid Value 2 max KOH/g
Vapor Pressure 0.03 mmHg @ 25 °C
Vapor Density 6.3
Flash Point TCC Value 90.56 °C TCC
logP (o/w) 3.8
Shelf life 24 months (or longer if stored properly.)
Storage notes Store in cool, dry place in tightly sealed containers, protected from heat and light.
Solubility
alcohol Yes
fixed oils Yes
water, 19.61 mg/L @ 25 °C (est) Yes
glycerin No
Stability
alcoholic fine fragrance Good
fabric softener Good
liquid detergent Good
toiletry application Good
deo stick Unspecified
detergent perborate Unspecified
shampoo Unspecified
antiperspirant Fair

Organoleptic Properties

Odor Type: Floral
bergamot, cucumber, rose, apricot, peach, plum, sweet, green, waxy, floral, citrus, fruity, mandarin
Odor strength medium
Substantivity 40 hour(s) at 100.00 %
Luebke, William tgsc, (1992) At 100.00 %. bergamot cucumber rose apricot peach plum
Mosciano, Gerard P&F 23, No. 2, 43, (1998) Sweet, green, waxy, floral, apricot, citrus, fruity and mandarin
Flavor Type: Fruity
green, fruity, peach, berry, citrus, apple
Mosciano, Gerard P&F 23, No. 2, 43, (1998) At 20.00 ppm. Green, fruity, peach, berry, citrus and apple
Used in pear, peach, mango, star fruit, mango and grape flavors. Fruity
Useful in: fruity citrus, fruity yellow, fruity tropical, fruity others, sweet others. Strong geranium, rose character, slightly citrus, fruity, sweet

Occurrences

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
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 36 - Wear suitable protective clothing.
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.
Human Experience:
4 % solution: no irritation or sensitization.
Oral/Parenteral Toxicity:
gavage-rat LD50 [sex: M/F] 8400 mg/kg
(Calandra, 1971)

oral-rat LD50 8400 mg/kg
Food and Cosmetics Toxicology. Vol. 11, Pg. 1073, 1973.

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 citronellyl formate usage levels up to:
5.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 87.00 (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: 3
Click here to view publication 3
average usual ppmaverage maximum ppm
baked goods: -32.00000
beverages(nonalcoholic): -14.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: 63.00000100.00000
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -13.00000
fruit ices: -13.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -19.00000
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 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

Safety and efficacy of non-conjugated and accumulated unsaturated straight-chain and branched-chain, aliphatic primary alcohols, aldehydes, acids, acetals and esters belonging to chemical group 4 when used as flavourings for all animal species
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):105-85-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :7778
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:2
3,7-dimethyloct-6-enyl formate
Chemidplus:0000105851
RTECS:RH3480000 for cas# 105-85-1