neryl isovalerate
Notes :
Gives good body.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :[(2Z)-3,7-dimethylocta-2,6-dienyl] 3-methylbutanoate
InChI :InChI=1/C15H26O2/c1-12(2)7-6-8-14(5)9-10-17-15(16)11-13(3)4/h7,9,13H,6,8,10-11H2,1-5H3/b14-9-
InChIKey :SOUKTGNMIRUIQN-ZROIWOOFBN
SMILES :CC(C)CC(=O)OC\C=C(\C)/CCC=C(C)C
(EINECS) number :223-478-4
cas number :3915-83-1
fema number :2778
coe number :508
jecfa number :76
fl. number :09.471
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 : 4.60
molecular weight : 238.3657400
formula :C15 H26 O2
 
 
fda reg :172.515 h. number :2915.60.0000
organoleptics : 
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
sweaty floral rose bergamot citrus fruity
taste description³ :at 5.00 - 20.00 ppm.  
Fruity, rich floral and slightly citrus-like with berry waxy nuances of blueberry fruity notes of apple, grape, peach and apricot
properties : 
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.88300 - 0.89300 @ 25.00 °C.
pounds per gallon - calc. : 7.347 to 7.431
refractive index :1.45300 - 1.46300 @ 20.00 °C.
boiling point : 252.00 °C. @ 760.00 mm Hg
logp : 5.51
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI) :0.024 (μg/capita/day)
  
flash point ( Deg. F. ) : 230.00  °F.  TCC  ( 110.00 °C. )
  
recommendation for neryl isovalerate usage levels up to :
  10.0000 % in the fragrance concentrate.
  
recommendation for neryl isovalerate usage levels up to :
  20.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :223-478-4
rtecs :RG5927710 for 3915-83-1
chemidplus :3915-83-1
epa-srs :3915-83-1
  
other : 
 
references : 
pubchem :10545075
NIST Chemistry WebBook :299268861
  
reference : Mosciano, Gerard P&F 26, No. 2, 40, (2001)³
synonyms :
3,7-dimethyl-2-cis-6-octadien-1-yl isovalerate
(2Z)-3,7-dimethyl-2,6-octadien-1-ol isovalerate
(Z)-3,7-dimethyl-2,6-octadien-1-yl 3-methyl butanoate
cis-3,7-dimethyl-2,6-octadien-1-yl 3-methyl butanoate
(Z)-3,7-dimethyl-2,6-octadien-1-yl isopentanoate
cis-3,7-dimethyl-2,6-octadien-1-yl isopentanoate
(Z)-3,7-dimethyl-2,6-octadien-1-yl isovalerate
cis-3,7-dimethyl-2,6-octadien-1-yl isovalerate
(Z)-geranyl isovalerate
 neryl 3-methyl butanoate
 neryl beta-methyl butyrate
 neryl isovalerate
(Z)-neryl isovalerate
cis-neryl isovalerate
 neryl isovalerianate
(Z)-isovaleric acid 3,7-dimethyl-2,6-octadienyl ester
isovaleric acid neryl ester
soluble in :
 alcohol
 dipropylene glycol
insoluble in :
 water
(odor and/or flavor) used in :
 almond
 apple
 banana quana banana
 bergamot
 blueberry
 clary sage
 cranberry
 currant black currant
 gardenia
 grape
 grapefruit
 herbal
 jonquil narcissus jonquilla
 linden blossom limeflower tilleul
 loganberry dewberry
 mango
 muguet lily of the valley
 oakmoss mousse de chene
 oriental
 petitgrain
 rose moss rose
 rose tea rose
 rose white rose
natural occurrence in :
data pagehelichrysum italicum oil america @ 0.18%
data pagevalerian root oil china @ 1.52%



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