methyl citronellate
methyl 3,7-dimethyl-6-octenoate
 
Notes:
Present in pepper (Piper nigrum) and lemon balm (Melissa officinalis). Flavouring ingredient
  • Apiscent Labs
    • Apiscent Labs, LLC
      Delivery of Quality
      Custom manufacturer and international supplier of fine ingredients.
      We believe inspired chemistry enriches lives. That's why our team is guided by a mission to provide fine ingredients to the worldwide pharmaceutical, flavor and fragrance markets with a primary focus on the manufacturing of value-added, research-based molecules. We're innovative problem solvers committed to excellence at every phase. Our work builds the foundation for our clients' continued success.
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      METHYL CITRONELLATE
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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      Product(s):
      13-40350 METHYL-3,7-DIMETHYL-6-OCTENOATE
       
Synonyms   Articles   Notes   Search
methyl 3,7-dimethyloct-6-enoate (Click)
CAS Number: 2270-60-2Picture of molecule
ECHA EINECS - REACH Pre-Reg: 218-874-9
FDA UNII: 6J2YGF6EUY
Nikkaji Web: J99.450B
CoE Number: 10781
XlogP3-AA: 3.30 (est)
Molecular Weight: 184.27880000
Formula: C11 H20 O2
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: R- or S-enantiomer not specified by CASrn in Register.
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
IBM Patents: Obtain
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 354  methyl 3,7-dimethyl-6-octenoate
Flavis Number: 09.517 (Old)
DG SANTE Food Flavourings: 09.517  methyl citronellate
FEMA Number: 3361  methyl 3,7-dimethyl-6-octenoate
FDA Mainterm: METHYL 3,7-DIMETHYL-6-OCTENOATE
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.89700 to 0.90700 @  25.00 °C.
Pounds per Gallon - (est).: 7.464 to  7.547
Refractive Index: 1.43700 to 1.44300 @  20.00 °C.
Boiling Point: 216.00 °C. @ 760.00 mm Hg
Boiling Point: 78.00 °C. @ 3.00 mm Hg
Vapor Pressure: 0.078000 mm/Hg @ 25.00 °C. (est)
Flash Point: 169.00 °F. TCC ( 76.11 °C. )
logP (o/w): 3.687 (est)
Soluble in:
 alcohol
 dipropylene glycol
 water, very slightly
 water, 17.56 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: floral
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 sweet  geranium  floral  waxy  fruity  apple  brandy  
Odor Description:
at 10.00 % in dipropylene glycol. 
sweet geranium floral waxy fruity apple brandy
 sweet  geranium  floral  waxy  winey  fruity  
Odor Description:
at 1.00 %.  
Sweet geranium floral and waxy, with winey and fruity nuances
Mosciano, Gerard P&F 26, No. 2, 40, (2001)
 floral  rose  bergamot  geranium  waxy  soapy  cognac  winey  
Taste Description:
at 1.00 - 25.00 ppm. 
Floral with rosy bergamot and geranium notes, waxy and soapy, cognac and winey nuances
Mosciano, Gerard P&F 26, No. 2, 40, (2001)
  
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Cosmetic Information:
None found
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Suppliers:
Apiscent Labs
METHYL CITRONELLATE
Odor: Wine-like, green, fruity, brandy-like
BOC Sciences
For experimental / research use only.
Methyl Citronellate
Penta International
METHYL-3,7-DIMETHYL-6-OCTENOATE
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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
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Safety in Use Information:
Category: flavor and fragrance agents
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: --
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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
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
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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
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS): View
CHEMBL: View
HMDB (The Human Metabolome Database): HMDB37225
FooDB: FDB016232
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
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Potential Blenders and core components note
 
For Odor
No odor group found for these
 zinc chelate of L-lysinate HCl 
aldehydic
 adoxal (Givaudan)FL/FR
 citronellyl oxyacetaldehydeFL/FR
9-decenalFL/FR
 mandarine undecenalFL/FR
 undecanalFL/FR
(Z)-8-undecenalFR
alliaceous
 dibutyl sulfideFL/FR
balsamic
 benzophenoneFL/FR
 opoponax oil (balsamodendron kafal)FL/FR
 opoponax resinoid (balsamodendron kafal)FR
 terpinyl cinnamateFL/FR
caramellic
 diethyl malateFL/FR
citrus
 citronellyl nitrileFR
10-undecen-1-olFL/FR
earthy
 amyl octanoateFL/FR
ethereal
isoamyl acetoacetateFL/FR
isobutyl alcoholFL/FR
fatty
 butyl undecylenateFL/FR
fermented
isobutyl decanoateFL/FR
 methyl decanoateFL/FR
3-methyl-1-pentanolFL/FR
floral
laevo-citronellolFL/FR
(E)-citronellyl tiglateFL/FR
 cyclohexyl ethyl alcoholFL/FR
 cyclohexyl propanolFR
 dihydrorose oxideFR
 dimethyl anthranilateFL/FR
 floral pyranFR
 geranium dihydropyranFR
 geranium nitrileFR
 geranium oil africaFL/FR
 geranium oil egyptFL/FR
 geranium pyranFR
 geranyl hexanoateFL/FR
 geranyl tiglateFL/FR
 hexyl 2-furoateFL/FR
 hexyl nonanoateFL/FR
 lily flower absoluteFR
 musk acetateFR
3-nonanon-1-yl acetateFL/FR
 peony acetonitrileFR
 phenethyl hexanoateFL/FR
 phenethyl pivalateFL/FR
 phenyl acetaldehyde digeranyl acetalFR
 rhodinyl propionateFL/FR
 rose oil (rosa damascena) bulgariaFL/FR
(Z)-rose oxideFL/FR
laevo-rose oxideFL/FR
fried
(E,Z)-2,4-decadienal 
 butyl acetoacetateFL/FR
isobutyl acetoacetateFL/FR
 butyl anthranilateFL/FR
 butyl formateFL/FR
 butyl hexanoateFL/FR
 citronellyl isobutyrateFL/FR
 diethyl laevo-tartrateFL/FR
 diethyl sebacateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl heptanoateFL/FR
 farnesyl acetoneFL/FR
 fig crotonateFR
 geranyl acetoacetateFL/FR
 methyl heptanoateFL/FR
 methyl nonanoateFL/FR
2-pentanoneFL/FR
 propyl heptanoateFL/FR
 sorbyl butyrateFL/FR
green
 benzaldehyde dimethyl acetalFL/FR
green cognac oilFL/FR
 diphenyl methaneFL/FR
 diphenyl oxideFL/FR
 geranium thiazoleFL/FR
 heptanal (aldehyde C-7)FL/FR
 heptyl formateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl phenyl acetateFL/FR
herbal
isoamyl tiglateFL/FR
 clary sage concreteFL/FR
white cognac oilFL/FR
 ethyl chrysanthemateFR
 geranium cyclohexaneFR
 phenethyl senecioateFL/FR
honey
 methyl hydrocinnamateFL/FR
roasted
2-methyl-1-butanolFL/FR
soapy
 benzyl laurateFL/FR
waxy
 allyl nonanoateFL/FR
isoamyl laurateFL/FR
 butyl laurateFL/FR
 ethyl decanoateFL/FR
 ethyl laurateFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
 hexadecanolFL/FR
 methyl laurateFL/FR
(Z)-nerolidol 
 octyl isobutyrateFL/FR
winey
 butyl angelateFL/FR
2-hexanolFL/FR
 
For Flavor
 
No flavor group found for these
 adoxal (Givaudan)FL/FR
 amyl octanoateFL/FR
isoamyl tiglateFL/FR
2-amyl-5 or 6-keto-1,4-dioxaneFL
 benzyl laurateFL/FR
 butyl acetoacetateFL/FR
 butyl angelateFL/FR
isobutyl decanoateFL/FR
 butyl formateFL/FR
isobutyraldehyde propylene glycol acetalFL
laevo-citronellolFL/FR
 cyclohexyl ethyl alcoholFL/FR
(E,Z)-2,4-decadienal 
9-decenalFL/FR
 diethyl laevo-tartrateFL/FR
 diethyl malateFL/FR
 diethyl sebacateFL/FR
 ethyl aconitateFL
 farnesyl acetoneFL/FR
 geranyl acetoacetateFL/FR
 geranyl hexanoateFL/FR
 heptanal (aldehyde C-7)FL/FR
 hexadecanolFL/FR
2-hexanolFL/FR
 hexyl nonanoateFL/FR
 mandarine undecenalFL/FR
 methyl hydrocinnamateFL/FR
2-methyl-1-butanolFL/FR
(Z)-nerolidol 
3-nonanon-1-yl acetateFL/FR
 phenethyl pivalateFL/FR
 phenethyl senecioateFL/FR
 sorbyl propionateFL
10-undecen-1-olFL/FR
 zinc chelate of L-lysinate HCl 
aromatic
 diphenyl methaneFL/FR
balsamic
 opoponax oil (balsamodendron kafal)FL/FR
citrus
 benzophenoneFL/FR
 citronellyl oxyacetaldehydeFL/FR
creamy
 octyl isobutyrateFL/FR
ethereal
isobutyl alcoholFL/FR
fatty
isoamyl laurateFL/FR
 butyl undecylenateFL/FR
 heptyl formateFL/FR
 methyl decanoateFL/FR
floral
 diphenyl oxideFL/FR
 geranium oil africaFL/FR
 geranium oil egyptFL/FR
 geranyl tiglateFL/FR
 rose oil (rosa damascena) bulgariaFL/FR
laevo-rose oxideFL/FR
fruity
isoamyl acetoacetateFL/FR
isobutyl acetoacetateFL/FR
 butyl anthranilateFL/FR
 butyl hexanoateFL/FR
 citronellyl isobutyrateFL/FR
 dimethyl anthranilateFL/FR
 ethyl heptanoateFL/FR
 hexyl phenyl acetateFL/FR
 methyl heptanoateFL/FR
2-pentanoneFL/FR
 rhodinyl propionateFL/FR
 sorbyl butyrateFL/FR
 terpinyl cinnamateFL/FR
fusel
white cognac oilFL/FR
green cognac oilFL/FR
green
 benzaldehyde dimethyl acetalFL/FR
 dibutyl sulfideFL/FR
 geranium thiazoleFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
 hexyl 2-furoateFL/FR
 hexyl butyrateFL/FR
 hexyl isobutyrateFL/FR
(Z)-rose oxideFL/FR
herbal
 clary sage concreteFL/FR
leafy
(E)-citronellyl tiglateFL/FR
waxy
 allyl nonanoateFL/FR
 butyl laurateFL/FR
 ethyl decanoateFL/FR
 ethyl laurateFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
 methyl laurateFL/FR
 phenethyl hexanoateFL/FR
 propyl heptanoateFL/FR
 undecanalFL/FR
whiskey
3-methyl-1-pentanolFL/FR
winey
 methyl nonanoateFL/FR
 
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Potential Uses:
 appleFR
 apricotFR
 bergamotFR
 citrusFR
 cognacFR
 pearFR
 rose tea roseFR
 wineFR
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Occurrence (nature, food, other): note
 callitris columellaris wood oil australia @ 0.80%
Data  GC  Search Trop  Picture
 callitris glaucophylla wood oil australia @ 0.40%
Data  GC  Search Trop  Picture
 calytrix tetragona leaf oil
Search Trop  Picture
 lemon balm
Search Trop  Picture
 lemon balm shoot
Search Trop  Picture
 pepper black pepper seed
Search Trop  Picture
 tagete oil CO2 extract @ 0.39%
Data  GC  Search Trop  Picture
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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
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