isoamyl geranate
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IUPAC name :3-methylbutyl (2E)-3,7-dimethylocta-2,6-dienoate
InChI :InChI=1/C15H26O2/c1-12(2)7-6-8-14(5)11-15(16)17-10-9-13(3)4/h7,11,13H,6,8-10H2,1-5H3/b14-11+
InChIKey :UYYJNVGFCCTXSK-SDNWHVSQBW
SMILES :CC(C)CCOC(=O)\C=C(/C)\CCC=C(C)C
cas number :68133-73-3
(EINECS) number :268-700-0
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 : 4.80
molecular weight : 238.3657400 (IUPAC)
formula :C15 H26 O2
NMR Predictor :Predict
 
 
export tariff code :2916.19.6000
fda reg :unspecified

Suppliers :
Nanjing :2,6-octadienoic acid 3,7-dimethyl-,3-methylbutyl ester,(2E)-

organoleptics :
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
rose lemon honey hay

properties :
appearence :colorless clear oily liquid
assay : 95.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.89000 to 0.90000 @ 25.00 °C.
pounds per gallon - calc. : 7.406 to 7.489
refractive index :1.46100 to 1.47100 @ 20.00 °C.
boiling point : 110.00 °C. @ 1.00 mm Hg
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 5.91

safety :
Oral Toxicity(LD50) :
  Oral-Rat    >5000.00  mg/kg

Dermal Toxicity(LD50) :
  Skin-Rabbit  >5000.00  mg/kg

Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
recommendation for isoamyl geranate usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for isoamyl geranate usage levels up to :
 not for flavor use.

safety references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 3-methylbutyl (2E)-3,7-dimethylocta-2,6-dienoate
(EINECS) number :268-700-0
chemidplus :068133733
EPA Substance Registry Services :68133-73-3

references :
 3-methylbutyl (2E)-3,7-dimethylocta-2,6-dienoate
NIST Chemistry WebBook :68133733
pubchem :188613

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
synonyms :
(E)-isoamyl geranate
(E)-3,7-dimethyl-2,6-octadienoic acid 3-methyl butyl ester
(E)-3,7-dimethyl-2,6-octadienoic acid isopentyl ester
3-methyl butyl (E)-3,7-dimethyl octa-2,6-dienoate
3-methyl butyl (E)-3,7-dimethyl-2,6-octadienoate
3-methylbutyl (2E)-3,7-dimethylocta-2,6-dienoate

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
1-acetyl cyclohexyl acetate
 allyl phenoxyacetate
 allyl phenyl acetate
isoamyl phenyl acetate
isoamyl undecylenate
para-anisyl phenyl acetate
 artemisyl ketone
 beeswax absolute
 benzyl alcohol
 bran absolute
 butyl benzyl ether
 butyl phenyl acetate
 cardamom absolute
 carnation absolute
 chamomile flower oil germany
 cistus cyclohexanone
 citronellal
 citronellyl isovalerate
 citronellyl oxyacetaldehyde
 citronellyl phenyl acetate
 citronellyl propionate
 citronellyl valerate
 cocoa butenal
 cocoa pentenal
para-cresyl phenyl acetate
 cyclohexyl acetic acid
(E)-alpha-damascone
(E)-beta-damascone
(Z)-alpha-damascone
(Z)-beta-damascone
beta-damascone
gamma-damascone
isodecanal
(Z)-4-decen-1-yl acetate
 decyl formate
 dihydrocarvyl acetate
 dimethyl octanyl acetate
2,4-dimethyl-2-pentenoic acid
 dodecanol
 elder flowers absolute
 ethyl hydrocinnamate
 ethyl phenyl acetate
 eugenyl phenyl acetate
isoeugenyl phenyl acetate
 farnesyl acetate
 fig leaf absolute
 floral pyran
 geranium rose-scented oil (pelargonium spp.) cuba
 geranyl acetate
 geranyl anthranilate
(E)-geranyl linalool
 geranyl phenyl acetate
 globulol
 guaiacyl phenyl acetate
 hawthorn ethanol
(E)-2-hexen-1-yl phenyl acetate
(E)-3-hexenoic acid
 honeysuckle absolute
 hyacinth acetal
 immortelle absolute
 kewda absolute
 kewda oil
 linalyl phenyl acetate
 methyl (E)-2-hexenoate
2'-methyl acetophenone
 methyl butyl phenyl acetate
 methyl hydrocinnamate
2-methyl octanal
 methyl phenyl acetate
4-methyl-4-phenyl pentanone
 musk acetate
 neryl acetate
 neryl isovalerate
(Z,Z)-3,6-nonadien-1-ol
 nonanal diethyl acetal
 nonanol
(Z)-6-nonen-1-ol
(Z)-3-octen-1-yl propionate
 octyl isovalerate
 orangeflower absolute
 osmanthus absolute
 phenethyl acetate
 phenethyl anthranilate
 phenethyl benzoate
 phenethyl furoate
 phenethyl hexanoate
 phenethyl phenyl acetate
 phenethyl propionate
 phenethyl salicylate
 phenyl acetaldehyde
 phenyl acetaldehyde digeranyl acetal
 phenyl acetic acid
 phenyl amyl alcohol
 phenyl glycol diacetate
2-phenyl propyl alcohol
3-phenyl propyl formate
 phenyl pyruvic acid
(E)-2-phenyl-1(2)-propene-1-yl acetate
isopropyl anthranilate
 propyl phenyl acetate
isopropyl phenyl acetate
 rhodinyl phenyl acetate
 rose absolute morocco
 rose carboxylate
laevo-rose oxide
 santalyl phenyl acetate
 strawberry glycidate 1
 strawberry glycidate 2
 styralyl propionate
1,2,3,4-tetrahydroquinoline
 tuberose absolute
 tuberose absolute concrete
(E)-2-undecen-1-ol
2-undecen-1-ol
 waxy acetate

(odor and/or flavor) used in :
 citrus
 herbal
 honey miel
 lemon
 rose

natural occurrence in :
not found in nature



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