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
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
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
Symrise :Geranyl tiglate
Odor:  sweet-herbaceaous, geranium-like, fruity
Vigon :Geranyl Tiglate
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
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 :
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.27 (μg/capita/day)
 
recommendation for geranyl tiglate 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 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
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
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
alpha-amyl cinnamaldehyde
 amyl furoate
isoamyl heptanoate
para-anisyl propionate
 benzyl acetone
 benzyl methyl tiglate
 butyl heptanoate
isobutyl heptanoate
 butyl levulinate
isobutyl methyl ketone
 butyl tiglate
 cassis methanol
 chamomile propionate
 cuminyl acetate
 diethyl malate
 dimethyl benzyl carbinyl butyrate
 ethyl 4-pentenoate
 geranyl hexanoate
(E)-2-hexenoic acid
 hexyl tiglate
 jasmin absolute
 linalyl octanoate
para-menth-1-ene-9-ol
 menthadienyl formate
1-para-menthen-9-yl acetate
 menthone-8-thioacetate
 methyl benzyl acetate (mixed ortho-,meta-,para-)
2-methyl butyl isovalerate
 methyl hexyl ether
 musk acetate
 myrtenyl acetate
 nonan-3-yl acetate
3-nonanone
3-octanon-1-ol
 orris capronate
beta-sesquiphellandrene
 rose undecene
 rue flower oil colombia
 rue oil
 rue oil cuba
 spathulenol
 tagete flower oil rwanda
 tagete oil
 tagete oil CO2 extract
 tricyclodecenyl propionate
 viridiflorol
(odor and/or flavor) used in :
 geranium
 green
 herbal
 lavender
 oriental
 rose
natural occurrence in :
data pagegeranium leaf oil india @ 1.61%
geranium oil
data pagegeranium oil africa @ 2.55%
data pagegeranium oil bourbon @ 1.34%
data pagegeranium oil china @ 0.98%
data pagegeranium oil egypt @ 1.48%
data pagegeranium oil moroccan @ 2.24%
data pagegeranium oil rwanda @ 2.49%
data pagegeranium petiole oil india @ 4.05%
data pagegeranium stem oil india @ 1.84%
kumquat



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