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citronellyl valerate

Chemical Structure

General Material Information

Preferred name citronellyl valerate
Trivial Name Citronellyl valerate
Short Description 3,7-dimethyl-6-octen-1-yl pentanoate
Formula C15 H28 O2
CAS Number 7540-53-6
FEMA Number 2317
Flavis Number 9.151
ECHA Number 231-416-2
FDA UNII 43TPH8V20B
Nikkaji Number J184.198J
MDL MFCD00036548
COE Number 469
xLogP3-AA 5.10 (est)
NMR Predictor External link
JECFA Food Flavoring 69 citronellyl valerate
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 7540-53-6 ; CITRONELLYL VALERATE
Synonyms
  • citronellyl pentanoate
  • citronellyl valerianate
  • citronellyl-valerate
  • 3,7-dimethyl-6-octen-1-yl pentanoate
  • 3,7-dimethyl-6-octen-1-yl valerate
  • 3,7-dimethyloct-6-en-1-yl pentanoate
  • 3,7-dimethyloct-6-en-1-yl valerate
  • 3,7-dimethyloct-6-enyl pentanoate
  • 3,7-dimethyloct-6-enyl valerate
  • pentanoic acid 3,7-dimethyl-6-octenyl ester
  • pentanoic acid citronellyl ester
  • pentanoic acid, 3,7-dimethyl-6-octen-1-yl ester
  • pentanoic acid, 3,7-dimethyl-6-octenyl ester
  • valeric acid 3,7-dimethyl-6-octen-1-yl ester
  • valeric acid, 3,7-dimethyl-6-octen-1-yl ester
  • 3,7-dimethyloct-6-enyl pentanoate
  • 6-Octen-1-ol, 3,7-dimethyl-, valerate
  • Citronellol valerate
  • Citronellol pentanoate
  • n-Citronellyl valerate

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
HMDB (The Human Metabolome Database):HMDB37229
FooDB:FDB016236
Export Tariff Code:2915.60.0000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex No
Molecular weight 240.38656616211
Specific gravity @ 25 °C
Pounds per Gallon 7.256 to 7.331
Refractive Index 1.442 to 1.45 @ 20 °C
Boiling Point 237 to 240°C @ 760 mm Hg
Vapor Pressure 0.001 mmHg @ 25 °C
Flash Point TCC Value 110 °C TCC
logP (o/w) 5.733 est
Solubility
alcohol Yes
water, 0.1879 mg/L @ 25 °C (est) Yes
water No

Organoleptic Properties

Odor Type: Floral
rose, herbal, honey
General comment At 100.00 %. rose herbal honey
Used as a modifier in fragrances. A rosey herbaceous honey-like aroma

Occurrences

Potential Uses

Applications
Odor purposes Herbal, Honey, Raspberry, Rose, Tobacco

Safety Information

Safety information

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 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

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 valerate usage levels up to:
5.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.61 (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: -7.70000
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.50000
fruit ices: -2.50000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -3.00000
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

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):7540-53-6
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :61416
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:3
3,7-dimethyloct-6-enyl pentanoate
Chemidplus:0007540536