4-tert-butyl cyclohexane carboxaldehyde 20691-52-5

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 :

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
iso	butyl 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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