isobornyl phenyl acetate
Notes :
Replacer for isobornyl acetate.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :(1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) 2-phenylacetate
InChI :InChI=1/C18H24O2/c1-17(2)14-9-10-18(17,3)15(12-14)20-16(19)11-13-7-5-4-6-8-13/h4-8,14-15H,9-12H2,1-3H3
InChIKey :OVTUPLGIFCUERT-UHFFFAOYAU
SMILES :CC1(C2CCC1(C(C2)OC(=O)CC3=CC=CC=C3)C)C
(EINECS) number :301-499-0
cas number :94022-06-7
coe number :566
fl. number :09.756
molar refractivity :80.06 ± 0.4 cm3
parachor :639.4 ± 6.0 cm3
index of refraction :1.541 ± 0.03
surface tension :39.8 ± 5.0 dyne/cm
density :1.07 ± 0.1 g/cm3
polarizability :31.73 ± 0.5 10-24cm3
xlogp : 5.00
molecular weight : 272.3819600
formula :C18 H24 O2
 
 
export tariff code :2916.35.1500
fda reg :unspecified
 

organoleptics :
odor strength :medium
odor description :
at 100.00 %.  
cypress oil

properties :
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.96500 @ 25.00 °C.
boiling point : 325.00 °C. @ 760.00 mm Hg
logp : 5.39

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) : 314.00  °F.  TCC  ( 156.67 °C. )
recommendation for isobornyl phenyl acetate usage levels up to :
  3.0000 % in the fragrance concentrate.

safety links :
 
 
(EINECS) number :301-499-0
chemidplus :094022067
EPA Substance Registry Services :94022-06-7
NLM Chemical Carcinogenesis Research Information System :94022-06-7
NLM Developmental and Reproductive Toxicity :94022-06-7
NLM Env. Mutagen Info. Center :94022-06-7
NLM GENetic TOXicology :94022-06-7
EPI System :view

other :

references :
fl. number :09.756
pubchem :3795921
synonyms :
isobornyl phenyl acetate
1,7,7-trimethyl bicyclo(2.2.1)hept-2-yl phenyl acetate

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 replacer for isobornyl acetate

(odor and/or flavor) used in :
 chypre
 cypress
 fir
 fir balsam
 heather
 pine
 woody

natural occurrence in :
not found in nature



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