bornyl butyrate
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :(1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) butanoate
InChI :InChI=1/C14H24O2/c1-5-6-12(15)16-11-9-10-7-8-14(11,4)13(10,2)3/h10-11H,5-9H2,1-4H3
InChIKey :VIPNQHBVIDJXJE-UHFFFAOYAR
SMILES :CCCC(=O)OC1CC2CCC1(C2(C)C)C
(EINECS) number :236-036-0
cas number :13109-70-1
fema number :3907
coe number :9319
jecfa number :1412
fl. number :09.319
molar refractivity :64.60 ± 0.4 cm3
parachor :545.7 ± 6.0 cm3
index of refraction :1.479 ± 0.03
surface tension :33.1 ± 5.0 dyne/cm
density :0.98 ± 0.1 g/cm3
polarizability :25.61 ± 0.5 10-24cm3
xlogp : 4.30
molecular weight : 224.3391600
formula :C14 H24 O2
 
 
export tariff code :2915.60.0000
fda reg :unspecified
 
 

organoleptics :
odor type :herbal
odor strength :medium
odor description :
at 100.00 %.  
herbal woody

properties :
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.98100 - 0.99100 @ 25.00 °C.
pounds per gallon - calc. : 8.163 to 8.246
refractive index :1.46200 - 1.46900 @ 20.00 °C.
boiling point : 120.00 - 121.00 °C. @ 10.00 mm Hg
boiling point : 247.00 - 248.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 4.67

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 231.00  °F.  TCC  ( 110.56 °C. )
  
recommendation for bornyl butyrate usage levels up to :
  8.0000 % in the fragrance concentrate.
  

safety links :
(EINECS) number :236-036-0
chemidplus :013109701
epa-srs :13109-70-1
  
EPI System :Click here

other :
 

references :
jecfa number :1412
fl. number :09.319
pubchem :675136
NIST Chemistry WebBook :4111702391
  
synonyms :
 bornyl butanoate
 bornyl butyrate
endo-bornyl butyrate
 butanoic acid rel-(1R,2S,4R)-1,7,7-trimethyl bicyclo(2.2.1)hept-2-yl ester
 butyric acid 2-bornyl ester
rel-(1R,2S,4R)-1,7,7-trimethyl bicyclo(2.2.1)butanoic acid hept-2-yl ester
endo-1,7,7-trimethyl bicyclo(2.2.1)hept-2-yl butanoic acid ester
(1,7,7-trimethyl norbornan-2-yl) butanoate
soluble in :
 alcohol
 water, slightly
insoluble in :
 water
(odor and/or flavor) blends with :
isoamyl salicylate
 anise indene
3-benzyl-4-heptanone
isoborneol
isobornyl acetate
beta-bourbonene
delta-cadinene
gamma-cadinene
alpha-cadinol
 camphene
(+)-camphene
dextro-camphor
 cinnamon acrolein
 cistus oil
 coriander oleoresin
 currant bud absolute black
isocyclocitral
 herbal undecanone
 immortelle flower oil
(Z)-jasmone
 karo karounde absolute
 lavender flower oil lithuania
 lavender oil france
 lavender oil greece
 marine formate
 methyl hexyl ketone
para-methyl hydratropaldehyde
1-methyl pyrrole
gamma-muurolene
 nonisyl propionate
 origanum vulgare l. ssp. vulgare oil himalaya
 parsley leaf oil
 patchouli indene
 pennyroyal oil
 petitgrain bigarade oil
 polylimonene
 prenyl salicylate
4-isopropyl-2-cyclohexenone
 spruce oil
 tansy leaf oil dutch
 tansy oil argentina
 tea leaf absolute
 thyme oil wild or creeping
 tricyclodecenyl propionate
 woody ketone
(odor and/or flavor) used in :
 balsam
 fir
 herbal
 pine
 woody
natural occurrence in :
data pagechamomile oil morocco @ 1.30%
data pagelemon verbena oil morocco @ 0.4%



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