linalyl butyrate
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :3,7-dimethylocta-1,6-dien-3-yl butanoate
InChI :InChI=1/C14H24O2/c1-6-9-13(15)16-14(5,7-2)11-8-10-12(3)4/h7,10H,2,6,8-9,11H2,1,3-5H3
InChIKey :FHLGUOHLUFIAAA-UHFFFAOYAD
SMILES :CCCC(=O)OC(C)(CCC=C(C)C)C=C
(EINECS) number :201-109-8
cas number :78-36-4
fema number :2639
coe number :276
jecfa number :361
fl. number :09.050
molar refractivity :68.27 ± 0.3 cm3
parachor :581.3 ± 4.0 cm3
index of refraction :1.454 ± 0.02
surface tension :28.4 ± 3.0 dyne/cm
density :0.891 ± 0.06 g/cm3
polarizability :27.06 ± 0.5 10-24cm3
xlogp : 4.00
molecular weight : 224.3391600
formula :C14 H24 O2
 
 
fda reg :172.515 h. number :2915.60.0000
organoleptics : 
odor type :floral
odor strength :medium
odor description :
at 100.00 %.  
bergamot fruity banana buttery
taste description³ :at 20.00 ppm.  
Floral, terpy, fruity, citrus and berry
properties : 
appearence :colorless to pale yellow clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.89300 - 0.90400 @ 25.00 °C.
pounds per gallon - calc. : 7.431 to 7.522
refractive index :1.45100 - 1.45600 @ 20.00 °C.
boiling point : 80.00 - 82.00 °C. @ 0.20 mm Hg
boiling point : 232.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 4.90
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 218.00  °F.  TCC  ( 103.33 °C. )
  
recommendation for linalyl butyrate usage levels up to :
  8.0000 % in the fragrance concentrate.
  
recommendation for linalyl butyrate usage levels up to :
  20.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :201-109-8
chemidplus :000078364
epa-srs :78-36-4
dtp/nci :46144
  
other : 
 
references : 
pubchem :203595
NIST Chemistry WebBook :796113424
  
reference : Mosciano, Gerard P&F 19, No. 2, 55, (1994)³
synonyms :
 butanoic acid 1-ethenyl-1,5-dimethyl-4-hexen-1-yl ester
 butyric acid 1,5-dimethyl-1-vinyl-4-hexen-1-yl ester
 butyric acid linalyl ester
1,5-dimethyl-1-vinyl hex-4-enyl butanoate
1,5-dimethyl-1-vinyl-4-hexen-1-yl butyrate
3,7-dimethyl-1,6-octadien-3-yl butanoate
3,7-dimethyl-1,6-octadien-3-yl butyrate
1-ethenyl-1,5-dimethyl-4-hexen-1-yl butanoate
 linalool butyrate
 linalyl butanoate
 linalyl butyrate
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 citronellyl butyrate
 geranyl butyrate
 linalyl acetate
 terpinyl propionate
(odor and/or flavor) used in :
 apple
 balsam
 banana
 bergamot
 blueberry
 chypre
 citrus
 cologne
 fern fougere
 honey miel
 jasmin
 lavender
 lilac lilas syringa
 mandarin
 melon watermelon muskmelon cantaloupe
 mimosa wattle
 pear
 pineapple
 plum
 plum greengage plum
 rose
 tea
natural occurrence in :
lavender oil
data pagelavender oil spike spain @ 0.03%
qrtemisia porrcta var. coerulea



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