cyclohexanone 108-94-1

cyclohexanone

Suppliers organoleptics properties safety references cosmetics FEMA Index Home Page

Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.

IUPAC name :

cyclohexanone

InChI :

InChI=1/C6H10O/c7-6-4-2-1-3-5-6/h1-5H2

InChIKey :

JHIVVAPYMSGYDF-UHFFFAOYAY

SMILES :

C1CCC(=O)CC1

cas number :	108-94-1
(EINECS) number :	203-631-1
eu annex :	606-010-00-7
beilstein number :	0385735
fema number :	3909
coe number :	11047
jecfa number :	1100
fl. number :	07.148
molar refractivity :	27.80 ± 0.3 cm3
parachor :	245.8 ± 6.0 cm3
index of refraction :	1.452 ± 0.02
surface tension :	32.5 ± 3.0 dyne/cm
density :	0.953 ± 0.06 g/cm3
polarizability :	11.02 ± 0.5 10-24cm3
XlogP :	0.90
XlogP3 :	0.80
molecular weight :	98.1430000 (IUPAC)
formula :	C6 H10 O
BioActivity Analysis :	17389954
pherobase floral:	view
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

Suppliers :

Cyclohexanone
99.8%

Cyclohexanone
99.8%

Cyclohexanone
>99.0%(GC)

organoleptics :

odor type :

minty

odor strength :

medium ,
recommend smelling in a 1.00 % solution or less

odor description:
at 1.00 % in dipropylene glycol.

minty acetone

properties :

appearence :

colorless clear liquid

assay :

99.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.94700 to 0.95000 @ 25.00 °C.

pounds per gallon - calc. :

7.880 to 7.905

refractive index :

1.44700 to 1.45300 @ 20.00 °C.

melting point :

-47.00 °C. @ 760.00 mm Hg

boiling point :

154.00 to 156.00 °C. @ 760.00 mm Hg

vapor pressure :

4.33000 mm/Hg @ 25.00 °C.

vapor density :

3.4 ( Air = 1 )

flash point :

116.00 °F. TCC ( 46.67 °C. )

logP (o/w) :

0.81

safety :

most important hazard(s) :

Xn - Harmful.

R 10 - Flammable.
R 20 - Harmful by inhalation.
R 36/37/38 - Irritating to eyes, respiratory system, and skin.
S 02 - Keep out of the reach of children.
S 25 - Avoid contact with eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.

Oral Toxicity(LD50) :

Oral-Rat   [sex: M,F]  1705.00  mg/kg
(Kohli et al., 1967)

Oral-Rat   [sex: M,F]  1840.00  mg/kg
(Deichmann & LeBlanc, 1943)

Oral-Rat   [sex: M,F]  1620.00  mg/kg
(Smyth et al., 1969a)

Oral-Rat   [sex: M,F]  1800.00  mg/kg
(Gupta et al., 1979)

Oral-Mouse   [sex: M,F]  2070.00  mg/kg
(Gupta et al., 1979)

Gavage-Rabbit   [sex: M]  1600.00  mg/kg
(Treon et al., 1943)

Intraperitoneal-Rabbit   [sex: M]  1540.00  mg/kg
(Gupta et al., 1979)

Intraperitoneal-Guineapig   [sex: M]  930.00  mg/kg
(Price, 1951)

Dermal Toxicity(LD50) :

Skin-Rabbit 1.00 ml/kg
American Industrial Hygiene Association Journal. Vol. 30, Pg. 470, 1969.

Subcutaneous-Rat 2170.00 mg/kg

Inhalation Toxicity(LC50) :

Inhalation-Rat  8000.00  ppm/4H
  Raw Material Data Handbook, Vol.1: Organic Solvents, 1974. Vol. 1, Pg. 18, 1974.

Inhalation-Mammal ?  25000.00  mg/m3

safety in use :

Category :

food contact microporous polymeric filters

Maximised Survey-derived Daily Intakes (MSDI-EU) :

0.12 (μg/capita/day)

Maximised Survey-derived Daily Intakes (MSDI-USA) :

0.10 (μg/capita/day)

recommendation for cyclohexanone fragrance usage levels up to :

not for fragrance use.

recommendation for cyclohexanone flavor usage levels up to :

not for flavor use.

safety references :

European Food Safety Athority(efsa) :

Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

IUCLID :

EPA-Iris :

NIOSH International Chemical Safety Cards :

NIOSH Pocket Guide :

NLM Hazardous Substances Data Bank :

Chemical Carcinogenesis Research Information System :

Carcinogenic Potency Database :

Env. Mutagen Info. Center :

NLM Developmental and Reproductive Toxicity :

National Toxicology Program :

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

WISER :

UN 1915

WGK Germany :

cyclohexanone

(EINECS) number :

RTECS :

chemidplus :

EPA Substance Registry Services :

108-94-1

dtp/nci :

5711

references :

cyclohexanone

fl. number :

07.148

jecfa number :

1100

NIST Chemistry WebBook :

3418309825

pubchem :

151080

Cosmetics :

Cosmetic uses :

perfuming agents

other :

CosIng :

cosmetic data

VCF-Online:

VCF Volatile Compounds in Food

FDA Everything Added to Food in the United States (EAFUS)

View

FDA Listing of Food Additive Status Part I (A through G

View

FDA Listing of Food Additive Status Part II (H through Z

View

Household Products :

synonyms :
	anon
	cycloyhexyl ketone
keto	hexamethylene
	hexanon
	hytrol o
	nadone
	pimelic ketone
	sextone
soluble in :
	alcohol
	water, 25000 mg/L @ 25C
natural occurrence in : note
	brassica napus ssp. oleifera	S
	musa spp.	S
	passiflora mucronata	S
	vriesea gladioliflora	S

information only - not sold by The Good Scents Company.

Top of Page The Good Scents Company Home