conifer acetate
 
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IUPAC name :[2-(2-methylbutan-2-yl)cyclohexyl] acetate
InChI :InChI=1/C13H24O2/c1-5-13(3,4)11-8-6-7-9-12(11)15-10(2)14/h11-12H,5-9H2,1-4H3
InChIKey :YEVACTAGDANHRH-UHFFFAOYAO
SMILES :CCC(C)(C)C1CCCCC1OC(=O)C
(EINECS) number :267-500-0
cas number :67874-72-0
molar refractivity :62.01 ± 0.4 cm3
parachor :538.8 ± 6.0 cm3
index of refraction :1.452 ± 0.03
surface tension :30.4 ± 5.0 dyne/cm
density :0.92 ± 0.1 g/cm3
polarizability :24.58 ± 0.5 10-24cm3
xlogp : 4.60
molecular weight : 212.3284600
formula :C13 H24 O2
BioActivity Analysis :83605
 
 
IUPAC name :(4-tert-butylcyclohexyl) acetate
InChI :InChI=1/C12H22O2/c1-9(13)14-11-7-5-10(6-8-11)12(2,3)4/h10-11H,5-8H2,1-4H3
InChIKey :MBZRJSQZCBXRGK-UHFFFAOYAF
SMILES :CC(=O)OC1CCC(CC1)C(C)(C)C
(EINECS) number :250-954-9
cas number :32210-23-4
molar refractivity :57.38 ± 0.4 cm3
parachor :498.8 ± 6.0 cm3
index of refraction :1.450 ± 0.03
surface tension :30.0 ± 5.0 dyne/cm
density :0.93 ± 0.1 g/cm3
polarizability :22.74 ± 0.5 10-24cm3
xlogp : 4.30
molecular weight : 198.3018800
formula :C12 H22 O2
BioActivity Analysis :438072
 
 
fda reg :unspecified h. number :2915.39.9050
organoleptics : 
odor type :balsamic
odor strength :medium
odor description :
at 100.00 %.  
balsam woody sweet fir balsam raspberry jam
substantivity :16  Hour(s)
properties : 
appearence :colorless clear liquid
assay : 97.00 - 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
specific gravity :0.93900 - 0.94700 @ 25.00 °C.
pounds per gallon - calc. : 7.813 to 7.880
specific gravity :0.94000 - 0.94800 @ 20.00 °C.
pounds per gallon - calc. : 7.831 to 7.898
refractive index :1.45500 - 1.45900 @ 20.00 °C.
logp : 4.49
safety : 
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 201.00  °F.  TCC  ( 93.89 °C. )
  
recommendation for conifer acetate usage levels up to :
  10.0000 % in the fragrance concentrate.
  
recommendation for conifer acetate usage levels up to :
 not for flavor use.
  
safety links : 
(EINECS) number :267-500-0
chemidplus :067874720
epa-srs :67874-72-0
dtp/nci :21163
  
(EINECS) number :250-954-9
chemidplus :032210234
epa-srs :32210-23-4
dtp/nci :163103
  
other : 
 
references : 
pubchem :199057
  
pubchem :177634
NIST Chemistry WebBook :1421766050
  
synonyms :
ortho-tert-amyl cyclohexanyl acetate
 amyl cyclohexyl acetate (mixed isomers)
 conifer acetate
 coniferan
2-tert-prenyl cyclohexanyl acetate
soluble in :
 alcohol
insoluble in :
 water
stability :
 alcoholic lotion
 antiperspirant
 bleach
 deo stick
 detergent
 fabric softener
 hard surface cleaner
 non-discoloring in most media
 shampoo
 soap
(odor and/or flavor) blends with :
 linalyl acetate
 nopyl acetate
 rose butanoate
(odor and/or flavor) used in :
 apple
 balsam
 fir
 oriental
 pine
 raspberry
 woody
natural occurrence in :
not found in nature



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