(E)-citronellyl tiglate
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :3,7-dimethyloct-6-enyl (E)-2-methylbut-2-enoate
InChI :InChI=1/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,13H,7,9-11H2,1-5H3/b14-6+
InChIKey :UCFQYMKLDPWFHZ-MKMNVTDBBY
SMILES :C\C=C(/C)\C(=O)OCCC(C)CCC=C(C)C
(EINECS) number :246-426-2
cas number :24717-85-9
fema number :4295
jecfa number :1823
fl. number :09.340
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 : 5.00
molecular weight : 238.3657400
formula :C15 H26 O2
 
 
IUPAC name :3,7-dimethyloct-6-enyl (Z)-2-methylbut-2-enoate
InChI :InChI=1/C15H26O2/c1-6-14(5)15(16)17-11-10-13(4)9-7-8-12(2)3/h6,8,13H,7,9-11H2,1-5H3/b14-6-
InChIKey :UCFQYMKLDPWFHZ-NSIKDUERBO
SMILES :C\C=C(\C)/C(=O)OCCC(C)CCC=C(C)C
(EINECS) number :282-535-1
cas number :84254-89-7
fema number :4295
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 : 5.00
molecular weight : 238.3657400
formula :C15 H26 O2
 
 
export tariff code :2916.19.6000
fda reg :unspecified
 
Suppliers :
Bedoukian Research :CITRONELLYL TIGLATE
 ≥95.0%, Kosher
 
Sigma-Aldrich-SAFC :Citronellyl tiglate
 ≥96%, mixture of isomers, Kosher
 
 
organoleptics :
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  		rose fruity floral geranium leaf
substantivity :24  Hour(s)
properties :
appearence :colorless clear liquid
assay : 96.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.89700 - 0.90700 @ 25.00 °C.
pounds per gallon - calc. : 7.464 to 7.547
refractive index :1.46000 - 1.46900 @ 20.00 °C.
boiling point : 144.00 - 145.00 °C. @ 9.00 mm Hg
boiling point : 95.00 °C. @ 0.10 mm Hg
logp : 5.97
safety :
Oral Toxicity(LD50) : Oral-Rat    >5.00  gm/kg    
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg    
  
flash point ( Deg. F. ) :> 212.00  °F.  TCC  ( > 100.00 °C. )
  
recommendation for (E)-citronellyl tiglate usage levels up to :
  9.0000 % 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).
publication number : 23.
4295 average usual ppmaverage maximum ppm
baked goods : 10.0000050.00000
beverages(nonalcoholic) : --
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 : --
granulated sugar : --
gravies : 20.00000110.00000
hard candy : --
imitation dairy : 7.0000035.00000
instant coffee / tea : --
jams / jellies : 20.00000110.00000
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 : --
soft candy : --
soups : 5.0000025.00000
sugar substitutes : --
sweet sauces : 5.0000025.00000
safety links :
(EINECS) number :246-426-2
chemidplus :024717859
epa-srs :24717-85-9
  
(EINECS) number :282-535-1
chemidplus :84254-89-7
epa-srs :84254-89-7
  
other :
 
references :
jecfa number :1823
fl. number :09.340
pubchem :667331
  
pubchem :10515423
NIST Chemistry WebBook :430119433
  
synonyms :
 citronellyl (E)-2-methyl-2-butenoate
(E)-citronellyl tiglate
 citronellyl trans-2-methyl-2-butenoate
(E)-citronellyl-trans-2-methyl-2-butenoate
(E)-dihydrogeranyl tiglate
(E)-3,7-dimethyl-6-octenyl-2-methyl crotonate
(2E)-3,7-dimethyl-6-octenyl-2-methyl-2-butenoic acid ester
(2E)-2-methyl-2-butenoic acid 3,7-dimethyl-6-octenyl ester
(E)-2-methyl-2-butenoic acid 3,7-dimethyl-6-octenyl ester
soluble in :
 alcohol
insoluble in :
 water
stability :
 antiperspirants
 detergent
 fabric softener
 soap
(odor and/or flavor) blends with :
 allyl isononylate
para-anisyl alcohol
 benzyl isobutyrate
 butyl angelate
 cassis buteneone
 citronellal diisotridecyl acetal
laevo-citronellol
 citronellyl acetate
laevo-citronellyl acetate
 citronellyl anthranilate
 citronellyl hexanoate
 citronellyl isobutyrate
beta-damascenone
delta-damascone
 dibutyl sulfide
 dihydrorose oxide
 dimethyl benzyl carbinyl acetate
 dimethyl octanyl acetate
 diphenyl oxide
 ethyl linalyl acetate
 ethyl nonanoate
 ethyl ortho-anisate
(E)-ethyl tiglate
 floral pyran
 geraniol
 geranium cyclohexane
 geranium dihydropyran
 geranium nitrile
 geranium oil africa
 geranium oil egypt
 geranium thiazole
 geranyl butyrate
 geranyl hexanoate
 geranyl isobutyrate
 geranyl nonanoate
 geranyl octanoate
 geranyl propionate
 geranyl tiglate
 geranyl valerate
2-heptyl tetrahydrofuran
(Z)-3-hexen-1-yl phenyl acetate
 hexyl phenyl acetate
 linalyl formate
 methyl 10-undecenal
 methyl citronellate
 octyl formate
 peony acetonitrile
 phenethyl isobutyrate
 phenethyl isovalerate
 phenethyl propionate
 phenethyl valerate
2-phenyl propionaldehyde dimethyl acetal
 rhodinyl butyrate
 rhodinyl propionate
 rose acetate
 santalyl butyrate
(odor and/or flavor) used in :
 balsam
 geranium
 green
 rose
 rose wild rose
 tobacco tabac tabaco
 tuberose tubereuse
natural occurrence in :
data pagegeranium leaf oil india @ 1.40%
data pagegeranium oil rwanda @ 0.14%
data pagegeranium petiole oil india @ 3.93%
data pagegeranium stem oil india @ 1.88%



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