geranyl 2-methyl butyrate
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IUPAC name :[(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylbutanoate
InChI :InChI=1/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h8,10,14H,6-7,9,11H2,1-5H3/b13-10+
InChIKey :PEQMAZJTEUEQJP-JLHYYAGUBR
SMILES :CCC(C)C(=O)OC\C=C(/C)\CCC=C(C)C
cas number :68705-63-5
(EINECS) number :272-100-4
fema number :4122
jecfa number :1820
fl. number :09.382
molar refractivity :73.07 ± 0.3 cm3
parachor :617.8 ± 4.0 cm3
index of refraction :1.459 ± 0.02
surface tension :28.7 ± 3.0 dyne/cm
density :0.893 ± 0.06 g/cm3
polarizability :28.96 ± 0.5 10-24cm3
XlogP : 4.40
molecular weight : 238.3657400 (IUPAC)
formula :C15 H26 O2
NMR Predictor :Predict
 
 
IUPAC name :[(2Z)-3,7-dimethylocta-2,6-dienyl] 2-methylbutanoate
InChI :InChI=1/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h8,10,14H,6-7,9,11H2,1-5H3/b13-10-
InChIKey :PEQMAZJTEUEQJP-RAXLEYEMBN
SMILES :CCC(C)C(=O)OCC=C(C)CCC=C(C)C
cas number :51117-19-2
(EINECS) number :256-994-3
molar refractivity :73.07 ± 0.3 cm3
parachor :617.8 ± 4.0 cm3
index of refraction :1.459 ± 0.02
surface tension :28.7 ± 3.0 dyne/cm
density :0.893 ± 0.06 g/cm3
polarizability :28.96 ± 0.5 10-24cm3
XlogP : 4.40
molecular weight : 238.3657400 (IUPAC)
formula :C15 H26 O2
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Nanjing :Geranyl methyl ethyl acetate
orders in chinese.
Penta :geranyl-2-methylbutyrate
organoleptics :
odor strength :medium
odor description:
at 100.00 %.  		fruity apple rose
properties :
appearence :colorless clear liquid
assay : 95.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.88700 to 0.89700 @ 25.00 °C.
pounds per gallon - calc. : 7.381 to 7.464
refractive index :1.43900 to 1.44300 @ 20.00 °C.
boiling point : 312.00 to 313.00 °C. @ 760.00 mm Hg
flash point : 194.00  °F.  TCC  ( 90.00 °C. )
logP (o/w) : 5.51
safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :1.10 (μg/capita/day)
 
recommendation for geranyl 2-methyl butyrate fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
 
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 on the "LIBRARY" link.
publication number : 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
safety references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
EPA Chem. Sub. Inventory : Yes
 
 
 
 
[(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylbutanoate
(EINECS) number :272-100-4
chemidplus :068705635
EPA Substance Registry Services :68705-63-5
 
 
 
[(2Z)-3,7-dimethylocta-2,6-dienyl] 2-methylbutanoate
(EINECS) number :256-994-3
chemidplus :051117192
EPA Substance Registry Services :51117-19-2
references :
 
[(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylbutanoate
fl. number :09.382
jecfa number :1820
pubchem :688630
 
[(2Z)-3,7-dimethylocta-2,6-dienyl] 2-methylbutanoate
NIST Chemistry WebBook :3942404671
pubchem :748511
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 dimethyl octa-2,6-dienyl 2-methyl butyrate
(E)-3,7-dimethyl octa-2,6-dienyl 2-methyl butyrate
 dimethyl-2,6-octadienyl 2-methyl butanoic acid
(2E)-3,7-dimethyl-2,6-octadienyl 2-methyl butanoic acid ester
[(2E)-3,7-dimethylocta-2,6-dienyl] 2-methylbutanoate
(E)-geranyl 2-methylbutyrate
 geranyl methyl ethyl acetate
2-methyl butanoic acid (2E)-3,7-dimethyl-2,6-octadienyl ester
(E)-neryl 2-methyl butyrate
(E)-neryl 2-methylbutyrate
Similar Products:    note
isoamyl 2-methyl butyrate
 amyl 2-methyl butyrate
 benzyl 2-methyl butyrate
 bornyl 2-methyl butyrate
 butyl 2-methyl butyrate
isobutyl 2-methyl butyrate
 citronellyl 2-methyl butyrate
 ethyl 2-hydroxy-2-methyl butyrate
(±)-ethyl 3-acetoxy-2-methyl butyrate
(±)-ethyl 3-hydroxy-2-methyl butyrate
 ethyl 2-methyl butyrate
 furfuryl 2-methyl butyrate
 heptyl 2-methyl butyrate
(E)-2-hexen-1-yl 2-methyl butyrate
(Z)-3-hexen-1-yl 2-methyl butyrate
3-hexen-1-yl 2-methyl butyrate
 hexyl 2-methyl butyrate
 methyl 3-acetoxy-2-methyl butyrate
2-methyl butyl 2-methyl butyrate
 methyl 2-methyl butyrate
 octyl 2-methyl butyrate
 propyl 2-methyl butyrate
isopropyl 2-methyl butyrate
 propylene glycol di-2-methyl butyrate
 propylene glycol mono-2-methyl butyrate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 allyl heptanoateFL/FR
 allyl isononylateFR
 allyl propionateFL/FR
 amyl 2-methyl butyrateFL/FR
 amyl isobutyrateFL/FR
 amyl isovalerateFL/FR
isoamyl valerateFL/FR
 apple ketalFL/FR
 apple notes 
 benzyl isobutyrateFL/FR
 benzyl isovalerateFL/FR
 benzyl propionateFL/FR
 butyl angelateFL/FR
 butyl heptanoateFL/FR
 butyl isovalerateFL/FR
isobutyl isovalerateFL/FR
 cassis buteneoneFL/FR
 citronellal diisotridecyl acetalFR
 citronellyl acetateFL/FR
laevo-citronellyl acetateFL/FR
 citronellyl anthranilateFL/FR
 citronellyl hexanoateFL/FR
(E)-citronellyl tiglateFL/FR
 cyclohexyl butyrateFL/FR
 cyclohexyl isovalerateFL/FR
beta-damascenoneFL/FR
(E)-alpha-damasconeFL/FR
(Z)-alpha-damasconeFL/FR
alpha-damasconeFL/FR
delta-damasconeFL/FR
gamma-damasconeFR
3-decen-2-oneFL/FR
 diethyl 1-malateFL
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl octanyl acetateFL/FR
 ethyl (E,Z)-2,4-decadienoateFL/FR
 ethyl 2-methyl butyrateFL/FR
 ethyl 3-methyl valerateFL/FR
 ethyl decanoateFL/FR
 ethyl isovalerateFL/FR
 ethyl linalyl acetateFR
 ethyl methyl mercaptopropionateFL/FR
 ethyl nonanoateFL/FR
 ethyl ortho-anisateFL/FR
(E)-ethyl tiglateFL/FR
 ethyl valerateFL/FR
 fruity ketalFL/FR
 galbanum ketoneFR
 geraniolFL/FR
 geranium cyclohexaneFL/FR
 geranyl butyrateFL/FR
 geranyl isobutyrateFL/FR
 geranyl isovalerateFL/FR
 geranyl methyl ethyl acetateFL/FR
 geranyl octanoateFL/FR
 geranyl propionateFL/FR
 geranyl valerateFL/FR
 heptyl 2-methyl butyrateFL
 hexanal diethyl acetalFL/FR
(Z)-3-hexen-1-al diethyl acetalFL/FR
(E)-2-hexen-1-al dimethyl acetalFL
(Z)-3-hexen-1-al dimethyl acetal 
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl acetateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl isobutyrateFL/FR
(E)-2-hexen-1-yl propionateFL/FR
(E)-2-hexen-1-yl valerateFL
(Z)-3-hexen-1-yl valerateFL/FR
 hexyl 2-methyl butyrateFL/FR
 hexyl butyrateFL/FR
 hexyl formateFL/FR
 hexyl isobutyrateFL/FR
 hexyl phenyl acetateFL/FR
 linalyl formateFL/FR
 marine formateFR
 methyl butyrateFL
 methyl citronellateFL/FR
 methyl isovalerateFL/FR
 methyl valerateFL/FR
 nonyl isovalerateFL/FR
 octyl formateFL/FR
(E)-2-penten-1-alFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 phenethyl propionateFL/FR
 phenethyl valerateFL/FR
 pineapple heptadienone 10%FR
isopropyl isobutyrateFL/FR
 propyl isovalerateFL/FR
isopropyl isovalerateFL/FR
 propyl tiglateFL/FR
 rhodinyl butyrateFL/FR
 santalyl butyrateFL/FR
potential uses :
 apple
 apricot
 chypre
 fern fougere
 peach
 peony
 pineapple
 raspberry
 rose
 rose wild rose
natural occurrence in :    note
 found in nature  

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