4-tert-butyl cyclohexane carboxaldehyde
 
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IUPAC name :4-tert-butylcyclohexane-1-carbaldehyde
InChI :InChI=1/C11H20O/c1-11(2,3)10-6-4-9(8-12)5-7-10/h8-10H,4-7H2,1-3H3
InChIKey :MXGRYXNVQNESIN-UHFFFAOYAO
SMILES :CC(C)(C)C1CCC(CC1)C=O
(EINECS) number :243-974-4
cas number :20691-52-5
molar refractivity :52.47 ± 0.3 cm3
parachor :442.1 ± 6.0 cm3
index of refraction :1.497 ± 0.02
surface tension :36.9 ± 3.0 dyne/cm
density :0.938 ± 0.06 g/cm3
polarizability :20.80 ± 0.5 10-24cm3
xlogp : 4.40
molecular weight : 168.2759000
formula :C11 H20 O
 
 
export tariff code :unspecified
fda reg :unspecified
 
 

organoleptics :
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
floral woody

properties :
appearence :colorless to pale yellow clear liquid
assay : 96.00 - 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 221.00 - 222.00 °C. @ 760.00 mm Hg
logp : 3.62

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
  
flash point ( Deg. F. ) : 167.00  °F.  TCC  ( 75.00 °C. )
  
recommendation for 4-tert-butyl cyclohexane carboxaldehyde usage levels up to :
  2.0000 % in the fragrance concentrate.
  
recommendation for 4-tert-butyl cyclohexane carboxaldehyde usage levels up to :
 not for flavor use.
  

safety links :
(EINECS) number :243-974-4
chemidplus :020691525
epa-srs :20691-52-5
  
EPI System :Click here

other :
 

references :
pubchem :665459
  
synonyms :
4-tert-butyl cyclohexane carbaldehyde
4-tert-butyl cyclohexane carboxaldehyde
4-(1,1-dimethyl ethyl) cyclohexane carboxaldehyde
 racinal
soluble in :
 alcohol
insoluble in :
 water
(odor and/or flavor) blends with :
 bergamot oil bergaptene free
isobutyl furyl propionate
 dihydro-beta-ionol
3',4'-dimethoxyacetophenone
2',4'-dimethyl acetophenone
2,4-dimethyl cyclohexyl methyl acetate
 freesia heptanol
 green methanoindene
(E)-2-hexen-1-yl salicylate
 ho wood oil
 immortelle flower oil
(E)-beta-ionone
alpha-ionone
beta-ionone
alpha-irone
 linaloe wood oil mexico
laevo-linalool
 linalool oxide
(Z)-linalool oxide (furanoid)
 mcp acetate
 methyl beta-ionone
(E)-beta-methyl ionone
iso-alpha-methyl ionone
(E)-alpha-methyl ionone (50-60%)
 methyl ionone gamma supreme
 muhuhu wood oil
 myrcenyl acetate
 orris absolute
 patchouli ethanone
 petitgrain cedrat oil
 sandal octanol
 spicy carbonate
 styralyl formate
 tropical ionone
 vetiver pentanone
 woody amylene
 woody bouquet
(odor and/or flavor) used in :
 cassie acacia farnesiana
 currant black currant
 floral
 woody
natural occurrence in :
not found in nature



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