geranyl valerate
[(2E)-3,7-dimethylocta-2,6-dienyl] pentanoate
 
Notes:
Isol. from sassafras oil
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      GERANYL VALERATE >97%
       
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Fragrance Demo Formulas    Flavor Demo Formulas
[(2E)-3,7-dimethylocta-2,6-dienyl] pentanoate (Click)
CAS Number: 10402-47-8Picture of molecule
ECHA EINECS - REACH Pre-Reg: 233-869-1
FDA UNII: 317HUA93QY
Nikkaji Web: J184.196C
MDL: MFCD00792507
CoE Number: 468
XlogP3-AA: 4.80 (est)
Molecular Weight: 238.37062000
Formula: C15 H26 O2
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: CASrn refers to (E)-isomer. Register name to be changed accordingly.
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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NCBI: Search
JECFA Food Flavoring: 1821  (E)-geranyl valerate
Flavis Number: 09.150 (Old)
DG SANTE Food Flavourings: 09.150  geranyl valerate
FEMA Number: 4123  geranyl valerate
FDA Mainterm: GERANYL VALERATE
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.88700 to 0.89300 @  25.00 °C.
Pounds per Gallon - (est).: 7.381 to  7.431
Refractive Index: 1.46500 to 1.47100 @  20.00 °C.
Boiling Point: 290.00 to  291.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.000400 mm/Hg @ 25.00 °C. (est)
Flash Point: > 200.00 °F. TCC ( > 93.33 °C. )
logP (o/w): 5.698 (est)
Soluble in:
 alcohol
 water, 0.2279 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
allyl valerate
allyl isovalerate
amyl valerate
amyl isovalerate
isoamyl valerate
isoamyl isovalerate
para-anisyl isovalerate
para-anisyl valerate
benzyl valerate
benzyl isovalerate
bornyl valerate
bornyl isovalerate
(-)-bornyl isovalerate
isobornyl isovalerate
S-sec-butyl thioisovalerate
butyl valerate
butyl isovalerate
isobutyl valerate
isobutyl isovalerate
carvyl isovalerate
cinnamyl valerate
cinnamyl isovalerate
citronellyl valerate
citronellyl isovalerate
para-cresyl valerate
para-cresyl isovalerate
cyclohexyl valerate
cyclohexyl isovalerate
cyclotene isovalerate
decyl valerate
decyl isovalerate
ethyl valerate
ethyl isovalerate
eugenyl isovalerate
furfuryl isovalerate
furfuryl valerate
geranyl isovalerate
(E)-2-hepten-1-yl isovalerate
heptyl isovalerate
sec-heptyl isovalerate
heptyl valerate
(E)-2-hexen-1-yl valerate
(E)-2-hexen-1-yl isovalerate
(Z)-3-hexen-1-yl valerate
(Z)-3-hexen-1-yl isovalerate
hexyl valerate
hexyl isovalerate
linalyl valerate
linalyl isovalerate
menthyl valerate
menthyl isovalerate
methyl 2-methyl valerate
methyl 4-methyl valerate
2-methyl butyl isovalerate
4-methyl pentyl isovalerate
methyl thio isovalerate
methyl valerate
methyl isovalerate
myrtenyl isovalerate
neryl isovalerate
nonyl isovalerate
nonyl valerate
octyl valerate
octyl isovalerate
phenethyl isovalerate
2-phenethyl valerate
3-phenyl propyl isovalerate
phenyl propyl valerate
S-prenyl thioisovalerate
isopropyl thioisovalerate
propyl valerate
propyl isovalerate
isopropyl valerate
isopropyl isovalerate
rhodinyl isovalerate
terpinyl isovalerate
terpinyl valerate
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Organoleptic Properties:
 
Odor Type: floral
 
Odor Strength: medium
 
 rose  fruity  pineapple  
Odor Description:
at 100.00 %. 
rose fruity pineapple
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
Geranyl Valerate
CG Herbals
Geranyl Valerate Extra
Inoue Perfumery
GERANYL VALERATE S
Parchem
geranyl valerate
Prodasynth
GERANYL VALERATE >97%
Odor: FLORAL
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
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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 geranyl valerate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.13 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 68.00 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 3900 (μg/person/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: 22
Click here to view publication 22
 average usual ppmaverage maximum ppm
baked goods: 10.0000050.00000
beverages(nonalcoholic): 5.0000025.00000
beverages(alcoholic): --
breakfast cereal: 5.0000025.00000
cheese: 7.0000035.00000
chewing gum: --
condiments / relishes: 5.0000025.00000
confectionery froastings: 10.0000050.00000
egg products: --
fats / oils: 5.0000025.00000
fish products: 2.0000010.00000
frozen dairy: 7.0000035.00000
fruit ices: 10.0000050.00000
gelatins / puddings: 5.0000025.00000
granulated sugar: --
gravies: 20.00000100.00000
hard candy: --
imitation dairy: 7.0000035.00000
instant coffee / tea: --
jams / jellies: 5.0000025.00000
meat products: 2.0000010.00000
milk products: 7.0000035.00000
nut products: --
other grains: 5.0000025.00000
poultry: 2.0000010.00000
processed fruits: 7.0000035.00000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 5.0000025.00000
snack foods: 10.0000050.00000
soft candy: --
soups: 5.0000025.00000
sugar substitutes: --
sweet sauces: 5.0000025.00000
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
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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):
Flavouring Group Evaluation 202: 3-Alkylated aliphatic acyclic alpha,beta-unsaturated aldehydes and precursors with or without additional double bonds from chemical subgroup 1.1.3 of FGE.19[1]
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 95 (FGE.95): Consideration of aliphatic, linear or branched-chain saturated and unsaturated alcohols, aldehydes, acids and related esters evaluated by JECFA (69th meeting) structurally related to esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids evaluated by EFSA in FGE.05Rev1 (2008)
View page or View pdf
EPI System: View
EPA Substance Registry Services (TSCA): 10402-47-8
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5365850
National Institute of Allergy and Infectious Diseases: Data
 [(2E)-3,7-dimethylocta-2,6-dienyl] pentanoate
Chemidplus: 0010402478
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References:
 [(2E)-3,7-dimethylocta-2,6-dienyl] pentanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 10402-47-8
Pubchem (cid): 5365850
Pubchem (sid): 135041663
Flavornet: 10402-47-8
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
HMDB (The Human Metabolome Database): HMDB40281
FooDB: FDB020001
Export Tariff Code: 2915.60.0000
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
aromatic
 damascone carboxylateFR
 heptanoic acidFL/FR
chemical
 propyl propionateFL/FR
ethereal
 propyl valerateFL/FR
fatty
 allyl decanoateFL/FR
 allyl octanoateFL/FR
 methyl 2-hexenoateFL/FR
floral
 benzyl isobutyrateFL/FR
 cassis buteneoneFR
 citronellal diisotridecyl acetalFR
(S)-citronellyl acetateFL/FR
 citronellyl acetateFL/FR
 citronellyl anthranilateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
(E)-citronellyl tiglateFL/FR
3-cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl esterFR
beta-damascenoneFL/FR
delta-damasconeFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 ethyl linalyl acetateFR
 ethyl ortho-anisateFL/FR
 eucalyptus macarthurii oilFR
 geraniolFL/FR
 geranium oil egypt fractionsFR
 geranyl formateFL/FR
 geranyl isobutyrateFL/FR
 geranyl phenyl acetateFL/FR
 geranyl propionateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 phenethyl propionateFL/FR
2-phenethyl valerateFL/FR
 rhodinyl butyrateFL/FR
 rose butanoateFL/FR
 styralyl propionateFL/FR
fresh
10-undecen-1-yl acetateFL/FR
fruity
 allyl 3,5,5-trimethyl hexanoateFL/FR
 allyl cinnamateFL/FR
 allyl cyclohexyl acetateFL/FR
 allyl cyclohexyl butyrateFL/FR
 allyl heptanoateFL/FR
 allyl isononylateFR
 amyl propionateFL/FR
isobutyl (E)-2-butenoate 
isobutyl hexanoateFL/FR
 butyl valerateFL/FR
 ethyl 3-(2-furyl) propanoateFL/FR
 ethyl 3-hexenoateFL/FR
 ethyl 3-methyl valerateFL/FR
 ethyl 5-hydroxyoctanoateFL/FR
 ethyl butyrateFL/FR
 ethyl cyclohexane propionateFL/FR
 ethyl heptanoateFL/FR
 ethyl hexanoateFL/FR
(E)-ethyl tiglateFL/FR
 ethyl-2-cyclopentenyl acetateFR
(E,Z)-6-ethyl-5,7-dimethyl-2,5-octadien-4-oneFR
 geranyl butyrateFL/FR
 methyl hexanoateFL/FR
 methyl isovalerateFL/FR
 octyl formateFL/FR
(E,E)-pomaroseFR
 propyl angelate 
isopropyl hexanoateFL/FR
isopropyl isobutyrateFL/FR
 thesaron (Takasago)FR
green
 galbanum oxyacetateFR
3-hexenyl 2-methyl butyrateFL/FR
 hexyl phenyl acetateFL/FR
 pineapple heptadienone 10%FR
 spirogalbanone (Givaudan)FR
herbal
 geranium cyclohexaneFR
 geranyl octanoateFL/FR
 herbal undecanoneFR
 linalyl formateFL/FR
nutty
2-methyl-3-ethoxypyrazineFL/FR
sulfurous
 ethyl methyl mercaptopropionateFL/FR
tropical
 pina colada fragranceFR
 tropical 3-thiobutyrateFL/FR
waxy
 dihydrocitronellyl acetateFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
winey
 butyl angelateFL/FR
woody
 santalyl butyrateFL/FR
 
For Flavor
 
No flavor group found for these
 allyl 3,5,5-trimethyl hexanoateFL/FR
 allyl cinnamateFL/FR
 allyl cyclohexyl butyrateFL/FR
 allyl cyclohexyl valerateFL
 amyl propionateFL/FR
 butyl angelateFL/FR
9-decen-2-oneFL
 dihydrocitronellyl acetateFL/FR
 ethyl 3-methyl valerateFL/FR
 ethyl 5-hydroxyoctanoateFL/FR
 ethyl cyclohexane propionateFL/FR
 ethyl cyclohexyl carboxylateFL
 ethyl ortho-anisateFL/FR
 geranyl octanoateFL/FR
 linalyl formateFL/FR
 methyl 2-hexenoateFL/FR
2-methyl-3-ethoxypyrazineFL/FR
2-phenethyl valerateFL/FR
 propyl angelate 
isopropyl hexanoateFL/FR
isopropyl isobutyrateFL/FR
 propyl valerateFL/FR
 santalyl butyrateFL/FR
citrus
 styralyl propionateFL/FR
fatty
 allyl octanoateFL/FR
floral
 citronellyl acetateFL/FR
(S)-citronellyl acetateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 geraniolFL/FR
 geranyl isobutyrateFL/FR
 geranyl phenyl acetateFL/FR
 phenethyl propionateFL/FR
 rhodinyl butyrateFL/FR
fruity
 allyl cyclohexyl acetateFL/FR
 allyl decanoateFL/FR
 allyl heptanoateFL/FR
 benzyl isobutyrateFL/FR
isobutyl hexanoateFL/FR
 butyl valerateFL/FR
 citronellyl anthranilateFL/FR
 ethyl 3-(2-furyl) propanoateFL/FR
 ethyl 3-hexenoateFL/FR
 ethyl butyrateFL/FR
 ethyl heptanoateFL/FR
 ethyl hexanoateFL/FR
(E)-ethyl tiglateFL/FR
 geranyl butyrateFL/FR
 hexyl phenyl acetateFL/FR
 methionyl butyrateFL
 methyl hexanoateFL/FR
 methyl isovalerateFL/FR
(methyl thio) methyl hexanoateFL
 phenethyl isovalerateFL/FR
 rose butanoateFL/FR
greasy
10-undecen-1-yl acetateFL/FR
green
(E)-citronellyl tiglateFL/FR
 geranyl formateFL/FR
3-hexenyl 2-methyl butyrateFL/FR
 octyl formateFL/FR
honey
 phenethyl isobutyrateFL/FR
sulfurous
 ethyl methyl mercaptopropionateFL/FR
 tropical 3-thiobutyrateFL/FR
tropical
 propyl propionateFL/FR
waxy
isobutyl (E)-2-butenoate 
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
 geranyl propionateFL/FR
 heptanoic acidFL/FR
beta-damascenoneFL/FR
delta-damasconeFL/FR
 
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Potential Uses:
 floralFR
 fruitFR
 orchidFR
 osmanthusFL/FR
 roseFR
 sassafrasFR
 tobaccoFR
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Occurrence (nature, food, other): note
 geranium leaf oil india @ 0.22%
Data  GC  Search Trop  Picture
 geranium oil rwanda @ 0.18%
Data  GC  Search Trop  Picture
 geranium petiole oil india @ 0.37%
Data  GC  Search Trop  Picture
 geranium stem oil india @ 0.11%
Data  GC  Search Trop  Picture
 sassafras leaf
Search Trop  Picture
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Synonyms:
(2E)-3,7-dimethyl-2,6-octadienyl pentanoate
(2E)-3,7-dimethylocta-2,6-dien-1-yl pentanoate
(2E)-3,7-dimethylocta-2,6-dien-1-yl valerate
[(2E)-3,7-dimethylocta-2,6-dienyl] pentanoate
 geraniol valerate
 geranyl pentanoate
(E)-geranyl valerate
 geranyl valerate S
(E)-neryl valerate
 pentanoic acid (2E)-3,7-dimethyl-2,6-octadienyl ester
 pentanoic acid geranyl ester
 pentanoic acid, (2E)-3,7-dimethyl-2,6-octadien-1-yl ester
 pentanoic acid, (2E)-3,7-dimethyl-2,6-octadienyl ester
 pentanoic acid, 3,7-dimethyl-2,6-octadienyl ester, (E)-
(E)-valeric acid 3,7-dimethyl-2,6-octadienyl ester
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