2-cyclohexyl cyclohexanone 90-42-6

2-cyclohexyl cyclohexanone

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IUPAC name :

2-cyclohexylcyclohexan-1-one

InChI :

InChI=1/C12H20O/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h10-11H,1-9H2

InChIKey :

UOBQDYFTAJKQAL-UHFFFAOYAT

SMILES :

C1CCC(CC1)C2CCCCC2=O

cas number :	90-42-6
(EINECS) number :	201-991-4
beilstein number :	1865785
molar refractivity :	53.51 ± 0.3 cm3
parachor :	452.7 ± 6.0 cm3
index of refraction :	1.496 ± 0.02
surface tension :	37.4 ± 3.0 dyne/cm
density :	0.984 ± 0.06 g/cm3
polarizability :	21.21 ± 0.5 10-24cm3
XlogP :	3.70
molecular weight :	180.2866000
formula :	C12 H20 O

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Penta :

2-cyclohexyl cylcohexanone

organoleptics :

odor type :

herbal

odor strength :

medium

odor description :¹
at 100.00 %.

cyclamen sweet herbal cumin mint woody orris ozone

odor sample from :

International Flavors & Fragrances Inc.

substantivity :

44 Hour(s)

properties :

appearence :

colorless to pale yellow clear liquid to solid

assay :

95.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.97100 to 0.97700 @ 25.00 °C.

pounds per gallon - calc. :

8.080 to 8.130

refractive index :

1.48500 to 1.49000 @ 20.00 °C.

boiling point :

264.00 to 265.00 °C. @ 760.00 mm Hg

acid value :

5.00 max. KOH/g

flash point :

> 200.00 °F. TCC ( > 93.33 °C. )

logP (o/w) :

3.81

safety :

Oral Toxicity(LD50) :

Oral-Rat 5000.00 mg/kg

Dermal Toxicity(LD50) :

Skin-Rabbit >7800.00 mg/kg

Inhalation Toxicity(LC50) :

Not determined

safety in use :

recommendation for 2-cyclohexyl cyclohexanone usage levels up to :

not for fragrance use.

recommendation for 2-cyclohexyl cyclohexanone usage levels up to :

not for flavor use.

safety references :

EPI System :

view

NLM Hazardous Substances Data Bank :

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

WGK Germany :

2-cyclohexylcyclohexan-1-one

(EINECS) number :

201-991-4

chemidplus :

000090426

EPA Substance Registry Services :

90-42-6

dtp/nci :

22249

references :

2-cyclohexylcyclohexan-1-one

NIST Chemistry WebBook :

3651415600

pubchem :

150036

Cosmetics :

Cosmetic uses :

perfuming agents

other :

reference :

Luebke, William tgsc, (1988)¹

CosIng :

cosmetic data

synonyms :
	bicyclohexanone P
(1,1'-	bicyclohexyl)-2-one
2-	cyclohexyl cyclohexan-1-one
2-	cyclohexylcyclohexan-1-one
	lavamenthe
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) blends with :
	benzyl salicylate
(S)-(-)-	citronellal
	citronellyl ethoxalate
	citronellyl oxyacetaldehyde
	cumin carbinol
	cyclamen aldehyde
	cyclamen homoaldehyde
	cyclamen propanal
neo	cyclocitral
	cyclohexyl propanol
2-	decalinol
(Z)-4-	decen-1-al
	decyl vinyl ether
	ethyl linalyl acetal
(E,E)-	farnesol
	floral butanal
	floral nitrile
	floral pyranol
	fresh nitrile
	geranyl oxyacetaldehyde
	green heptenal
	hawthorn ethanol
	heptanal
(Z)-3-	hexen-1-yl oxyacetaldehyde
	hyacinth acetal
	jasimia
	leerall
	lilyall
	lilyall / methyl anthranilate schiff's base
	magnolia cyclohexanol
	marine carbonitrile
	marine decadienal
	marine hexane
	marine pyridine
	melon heptenal
	methoxycitronellal
para-	methyl phenoxyacetaldehyde
	muguet butanal
	muguet butanol
	muguet carboxaldehyde
	muguet ethanol
	muguet nitrile
	muguet propanol
	muguet shiseol
	muguet undecadienal
	myrmac aldehyde
	ocean carboxaldehyde
	ocean propanal
	ocean propanal / methyl anthranilate schiff's base
	ozone propanal
	phenoxyacetaldehyde 50% in benzyl alcohol
	phenyl glycol diacetate
	rose absolute pentanol
	satinaldehyde
	savin oil
N/i-	tridecanal
10-	undecen-1-ol
	verbenol
(E)-	verbenol
(Z)-	verbenol
	woody heptene
(odor and/or flavor) used in :
	clean
	floral
	herbal
	lily
	orris iris
	ozone
	woody
natural occurrence in :
	not found in nature

information only - not sold by The Good Scents Company.

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