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
cas number :20691-52-5
(EINECS) number :243-974-4
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
XlogP3-AA : 3.20
molecular weight : 168.2759000 (IUPAC)
formula :C11 H20 O
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Nanjing :cyclohexanecarboxaldehyde,4-(tert-butyl)-

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 to 100.00 %   
Food Chemicals Codex Listed :No
boiling point : 221.00 to 222.00 °C. @ 760.00 mm Hg
flash point : 167.00  °F.  TCC  ( 75.00 °C. )
logP (o/w) : 3.62

safety :
Oral Toxicity(LD50) :
  Not determined
Dermal Toxicity(LD50) :
  Not determined
Inhalation Toxicity(LC50) :
  Not determined
 

safety in use :
 
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 references :
EPI System :view
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 4-tert-butylcyclohexane-1-carbaldehyde
(EINECS) number :243-974-4
chemidplus :020691525
EPA Substance Registry Services :20691-52-5

references :
 4-tert-butylcyclohexane-1-carbaldehyde
pubchem :665459

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
synonyms :
4-tert-butyl cyclohexane carbaldehyde
4-tert-butylcyclohexane-1-carbaldehyde
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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