geranyl tiglate
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IUPAC name :[(2E)-3,7-dimethylocta-2,6-dienyl] (E)-2-methylbut-2-enoate
InChI :InChI=1/C15H24O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,10H,7,9,11H2,1-5H3/b13-10+,14-6+
InChIKey :OGHBUHJLMHQMHS-KRDNBFTEBZ
SMILES :C\C=C(/C)\C(=O)OC\C=C(/C)\CCC=C(C)C
cas number :7785-33-3
(EINECS) number :232-078-9
fema number :4044
coe number :11829
jecfa number :1822
fl. number :09.383
molar refractivity :73.01 ± 0.3 cm3
parachor :603.8 ± 4.0 cm3
index of refraction :1.473 ± 0.02
surface tension :29.1 ± 3.0 dyne/cm
density :0.909 ± 0.06 g/cm3
polarizability :28.94 ± 0.5 10-24cm3
XlogP : 4.20
molecular weight : 236.3498600 (IUPAC)
formula :C15 H24 O2
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :2916.19.6000
fda reg :unspecified
Suppliers :
Apple :Geranyl tiglate
Bedoukian Research :GERANYL TIGLATE
≥96.0%, Kosher
Odor:  Somewhat fruity, geranium-like
Used in rose and geranium fragrances.
Flavor:  fruity
Would do well in a red raspberry or other berry flavor - also as a sour note in tropical blends.
Berje :Geranyl Tiglate
Inoue :GERANYL TIGLATE S
Moellhausen :geranyl tiglate
94.5% min. nature identical kosher
Odor:  fruity, floreal, geranium like
Organica Aromatics :GERANYL TIGLATE
Min 95% (sum of isomers)
Penta :geranyl tiglate
SAFC Global® :Geranyl tiglate
Symrise :Geranyl tiglate
Odor:  sweet-herbaceaous, geranium-like, fruity
Vigon :Geranyl Tiglate
Odor:  Sweet-herbaceaous, geranium-like, fruity
organoleptics :
odor type :floral
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  		geranium fruity sweet herbal
taste description:
at 5.00 - 10.00 ppm.  		geranium melon herbal citrus
properties :
appearence :colorless to pale yellow clear oily liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.91700 to 0.93100 @ 25.00 °C.
pounds per gallon - calc. : 7.630 to 7.747
refractive index :1.47400 to 1.48900 @ 20.00 °C.
boiling point : 149.00 to 151.00 °C. @ 7.00 mm Hg
boiling point : 271.00 to 272.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
vapor pressure :0.00100 mm/Hg @ 20.00 °C.
flash point :> 212.00  °F.  TCC  ( > 100.00 °C. )
logP (o/w) : 5.73
safety :
most important hazard(s) :Xi - Irritant
  R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Human experience : 6 % solution: no irritation or sensitization.
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 :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.27 (μg/capita/day)
 
recommendation for geranyl tiglate fragrance usage levels up to :
  6.0000 % 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 : 21
 average usual ppmaverage maximum ppm
baked goods : --
beverages(nonalcoholic) : 20.0000020.00000
beverages(alcoholic) : 20.0000020.00000
breakfast cereal : --
cheese : --
chewing gum : --
condiments / relishes : --
confectionery froastings : 100.00000100.00000
egg products : --
fats / oils : --
fish products : --
frozen dairy : 50.0000050.00000
fruit ices : 50.0000050.00000
gelatins / puddings : --
granulated sugar : --
gravies : --
hard candy : 100.00000100.00000
imitation dairy : 50.0000050.00000
instant coffee / tea : --
jams / jellies : --
meat products : --
milk products : 50.0000050.00000
nut products : --
other grains : --
poultry : --
processed fruits : --
processed vegetables : --
reconstituted vegetables : --
seasonings / flavors : --
snack foods : --
soft candy : 100.00000100.00000
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...
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 
[(2E)-3,7-dimethylocta-2,6-dienyl] (E)-2-methylbut-2-enoate
(EINECS) number :232-078-9
RTECS :RG5927900 for cas# 7785-33-3
chemidplus :007785333
EPA Substance Registry Services :7785-33-3
references :
 
[(2E)-3,7-dimethylocta-2,6-dienyl] (E)-2-methylbut-2-enoate
fl. number :09.383
jecfa number :1822
NIST Chemistry WebBook :3428999026
pubchem :007785333
Cosmetics :
Cosmetic uses : perfuming agents
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
RIFM :listed
FMA :listed
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
cis-alpha,beta-dimethyl acrylic acid geraniol ester
trans-3,7-dimethyl-2,6-octadien-1-yl cis-alpha,beta-dimethyl acrylate
 dimethyl-2,6-octadienyl 2-methyl crotonate
(E)-3,7-dimethyl-2,6-octadienyl 2-methyl crotonate
[(2E)-3,7-dimethylocta-2,6-dienyl] (E)-2-methylbut-2-enoate
 geranyl 2-methyl crotonate
(E)-geranyl tiglate
(E,E)-2-methyl butenoic acid 3,7-dimethyl-2,6-octadienyl ester
(E)-neryl tiglate
 tiglic acid 3,7-dimethyl-2,6-octadienyl ester
 tiglic acid geraniol ester
Similar Products:    note
 allyl tiglate
 amyl tiglate
isoamyl tiglate
 benzyl methyl tiglate
 benzyl tiglate
 butyl tiglate
isobutyl tiglate
 cinnamyl tiglate
(E)-citronellyl tiglate
(E)-ethyl tiglate
 geranyl methyl tiglate
(Z)-3-hexen-1-yl tiglate
 hexyl tiglate
 methyl tiglate
3-octyl tiglate
 phenethyl tiglate
 propyl tiglate
isopropyl tiglate
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
alpha-amyl cinnamaldehydeFL/FR
 amyl furoateFL/FR
isoamyl heptanoateFL/FR
para-anisyl propionateFL/FR
 benzyl acetoneFL/FR
 benzyl methyl tiglateFL
 butyl heptanoateFL/FR
isobutyl heptanoateFL/FR
 butyl levulinateFL/FR
isobutyl methyl ketoneFL/FR
 butyl tiglateFL/FR
 cassis methanolFR
 chamomile propionateFR
 cuminyl acetateFL/FR
 diethyl malateFL
 dimethyl benzyl carbinyl butyrateFL/FR
 ethyl 4-pentenoateFL/FR
 geranyl hexanoateFL/FR
(E)-2-hexenoic acidFL
 hexyl tiglateFL/FR
 jasmin absoluteFL/FR
 linalyl octanoateFL/FR
para-menth-1-ene-9-olFL/FR
 menthadienyl formateFR
1-para-menthen-9-yl acetateFL/FR
 menthone-8-thioacetateFL
 methyl benzyl acetate (mixed ortho-,meta-,para-)FL/FR
2-methyl butyl isovalerateFL/FR
 methyl hexyl etherFL/FR
 musk acetateFR
 myrtenyl acetateFL/FR
 nonan-3-yl acetateFL/FR
3-nonanoneFL/FR
3-octanon-1-olFL/FR
 orris capronateFL/FR
beta-sesquiphellandrene 
 rose undeceneFR
 rue flower oil colombia 
 rue oilFL/FR
 rue oil cubaFL/FR
 spathulenol 
 tagete flower oil rwandaFL/FR
 tagete oilFL/FR
 tagete oil CO2 extractFL/FR
 tricyclodecenyl propionateFR
 viridiflorolFL/FR
potential uses :
 geranium
 green
 herbal
 lavender
 oriental
 rose
natural occurrence in :    note
data pagegeranium leaf oil india @ 1.61% S
 geranium oil S
data pagegeranium oil africa @ 2.55% S
data pagegeranium oil bourbon @ 1.34% S
data pagegeranium oil china @ 0.98% S
data pagegeranium oil egypt @ 1.48% S
data pagegeranium oil moroccan @ 2.24% S
data pagegeranium oil rwanda @ 2.49% S
data pagegeranium petiole oil india @ 4.05% S
data pagegeranium stem oil india @ 1.84% S
 kumquat  

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