isobornyl propionate
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :(1,7,7-trimethyl-5-bicyclo[2.2.1]heptanyl) propanoate
InChI :InChI=1/C13H22O2/c1-5-11(14)15-10-8-13(4)7-6-9(10)12(13,2)3/h9-10H,5-8H2,1-4H3
InChIKey :JFKFGMGWIPRQNZ-UHFFFAOYAO
SMILES :CCC(=O)OC1CC2(CCC1C2(C)C)C
(EINECS) number :220-410-5
cas number :2756-56-1
fema number :2163
coe number :412
jecfa number :1391
fl. number :09.131
molar refractivity :59.97 ± 0.4 cm3
parachor :505.6 ± 6.0 cm3
index of refraction :1.480 ± 0.03
surface tension :32.9 ± 5.0 dyne/cm
density :0.99 ± 0.1 g/cm3
polarizability :23.77 ± 0.5 10-24cm3
xlogp : 3.90
molecular weight : 210.3125800
formula :C13 H22 O2
 
 
fda reg :unspecified h. number :2915.50.3000
 
organoleptics : 
odor type :balsamic
odor strength :medium
odor description :
at 100.00 %.  
pungent pine camphor woody lavender
substantivity :20  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 96.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.96700 - 0.97500 @ 25.00 °C.
pounds per gallon - calc. : 8.046 to 8.113
specific gravity :0.96800 - 0.97600 @ 20.00 °C.
pounds per gallon - calc. : 8.064 to 8.131
refractive index :1.46000 - 1.46400 @ 20.00 °C.
boiling point : 102.00 °C. @ 16.00 mm Hg
boiling point : 245.00 °C. @ 760.00 mm Hg
logp : 4.13
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 211.00  °F.  TCC  ( 99.44 °C. )
  
recommendation for isobornyl propionate usage levels up to :
  30.0000 % in the fragrance concentrate.
  
recommendation for isobornyl propionate usage levels up to :
  2.0000 ppm in the flavor.
  
safety links : 
(EINECS) number :220-410-5
chemidplus :002756561
epa-srs :2756-56-1
  
other : 
 
references : 
jecfa number :1391
fl. number :09.131
pubchem :160821
  
synonyms :
isoborneol propionate
exo-2-bornyl propionate
isobornyl propionate
exo-2-camphanyl propionate
exo-1,7,7-trimethyl bicyclo(2.2.1)hept-2-yl propionate
(rel-1,7,7-trimethyl bicyclo(2.2.1)heptan-2-ol propanoate
exo-1,7,7-trimethyl bicyclo(2.2.1)heptan-2-yl propanoate
soluble in :
 alcohol
insoluble in :
 water
stability :
 acid cleaner
 antiperspirant
 deo stick
 detergent perborate
 fabric softener
 hard surface cleaner
 liquid detergent
 shampoo
 soap
(odor and/or flavor) blends with :
1-allyl-2,2,7,7-tetramethyl cycloheptanol
 amber dioxepine
para-anisyl propionate
 balsam ketone
 benzyl acetone
 benzyl methyl tiglate
 bergamot mint oil
 bois de rose oil
 borneol
dextro-borneol
isoborneol
laevo-borneol
isobornyl acetate
isobornyl isovalerate
isobornyl methyl ether
 buchu leaf oil
2-tert-butyl cyclohexanone
 butyl heptanoate
isobutyl heptanoate
isobutyl methyl ketone
 butyl tiglate
 camphor oil
 carvacrol
 cassis methanol
 cedarleaf oil terpeneless
 chamomile oil morocco
 chamomile propionate
isodihydrolavandulal
 dihydrolinalool
 dihydromyrcenyl acetate
 dimethyl benzyl carbinyl butyrate
3,6-dimethyl-3-octanol
2,10-epoxypinane
 ethyl 4-pentenoate
 ethyl linalool
 ethyl linalyl acetal
 ethyl linalyl acetate
 ethyl linalyl ether
 farnesene
 freesia heptanol
 geranic oxide
 geranyl acetate
 herbal dioxane
 herbal ethanone
 herbal undecanol
 hexyl tiglate
 hinoki leaf oil
 hinoki root oil
 ho leaf oil
 ho wood oil
6-hydroxydihydrotheaspirane (mixture of isomers)
 hyssop oil
 lavandin oil
 lavandin oil grosso
 lavandin water absolute
 lavender absolute
 lavender oil
 lavender oil bulgaria
 lavender oil CO2 extract france
 lavender oil france
 lavender oil greece
 lavender oil terpeneless
 lavender spike absolute
 linalool
dextro-linalool
laevo-linalool
 linalool oxide
 linalyl acetate
dextro-linalyl acetate
laevo-linalyl acetate
 linalyl anthranilate
 linalyl isobutyrate
 linalyl isovalerate
 linalyl valerate
 marjoram oil sweet cuba
 marjoram oil sweet egypt
2-methyl butyl isovalerate
 methyl cyclogeranate
 methyl hexyl ether
 myrcenol
 myrcenyl acetate
 myrtenyl acetate
 nonan-3-yl acetate
3-nonanone
 nonisyl propionate
 nopyl acetate
 ocimen-1-yl acetate
 ocimene oxirane
 ocimene quintoxide
3-octanone
3-octen-1-yl acetate
 octyl phenyl acetate
 peppermint cyclohexanone
beta-sesquiphellandrene
 phenoxyethyl propionate
 pine hexanol
alpha-pinene
 pinocarveol
 prenol
 pulegone
 rose undecene
 rosemary absolute
 rosemary oil
 rosemary oil morocco
 rue flower oil colombia
 rue oil
 rue oil cuba
 spathulenol
 tagete flower oil rwanda
 tagete oil
 tagete oil CO2 extract
 tagete oil turkey
 tagete oil zambia
alpha-terpinyl acetate
 terpinyl formate
 tetrahydrolinalool
 tetrahydromyrcenyl acetate
 thyme oil
 thyme oil white
 viridiflorol
(odor and/or flavor) used in :
 fern fougere
 herbal
 lavender
 pine
 turpentine
natural occurrence in :
data pagechamomile oil morocco @ 0.30%
data pagewormseed oil spain @ 0.06%



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