cyclopentanone 120-92-3

cyclopentanone

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IUPAC name :

cyclopentanone

InChI :

InChI=1/C5H8O/c6-5-3-1-2-4-5/h1-4H2

InChIKey :

BGTOWKSIORTVQH-UHFFFAOYAP

SMILES :

C1CCC(=O)C1

cas number :	120-92-3
(EINECS) number :	204-435-9
eu annex :	606-025-00-9
beilstein number :	0605573
fema number :	3910
coe number :	11050
jecfa number :	1101
fl. number :	07.149
molar refractivity :	23.18 ± 0.3 cm3
parachor :	205.7 ± 6.0 cm3
index of refraction :	1.456 ± 0.02
surface tension :	34.0 ± 3.0 dyne/cm
density :	0.987 ± 0.06 g/cm3
polarizability :	9.19 ± 0.5 10-24cm3
XlogP :	0.40
molecular weight :	84.1164200
formula :	C5 H8 O
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Penta :

cyclopentanone

Sigma-Aldrich-SAFC :

Cyclopentanone
≥99%, Kosher

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

properties :

appearence :

colorless clear liquid

assay :

99.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

0.95000 to 0.96000 @ 25.00 °C.

pounds per gallon - calc. :

7.905 to 7.988

refractive index :

1.43200 to 1.43800 @ 20.00 °C.

melting point :

-51.00 °C. @ 760.00 mm Hg

boiling point :

130.00 to 131.00 °C. @ 760.00 mm Hg

vapor pressure :

11.40000 mm/Hg @ 25.00 °C.

flash point :

87.00 °F. TCC ( 30.56 °C. )

logP (o/w) :

0.20

safety :

most important hazard(s) :

Xi - Irritant

R 10 - Flammable.
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 23 - Do not breath vapour.
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-Mammal ? 2000.00 mg/kg

Intraperitoneal-Mouse 1950.00 mg/kg

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Inhalation-Rat 19500.00 mg/m3

safety in use :

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

0.018 (μg/capita/day)

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

0.02 (μg/capita/day)

recommendation for cyclopentanone usage levels up to :

not for fragrance use.

Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).

The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA on the "LIBRARY" link.

publication number : 19. Update in publication number(s) : 20

average usual ppm

average maximum ppm

baked goods :

2.00000

3.00000

beverages(nonalcoholic) :

1.00000

15.00000

beverages(alcoholic) :

breakfast cereal :

1.00000

2.00000

cheese :

chewing gum :

condiments / relishes :

1.00000

2.00000

confectionery froastings :

egg products :

fats / oils :

fish products :

frozen dairy :

fruit ices :

gelatins / puddings :

granulated sugar :

gravies :

hard candy :

imitation dairy :

instant coffee / tea :

jams / jellies :

meat products :

milk products :

nut products :

other grains :

poultry :

processed fruits :

processed vegetables :

reconstituted vegetables :

seasonings / flavors :

snack foods :

soft candy :

soups :

1.00000

2.00000

sugar substitutes :

sweet sauces :

1.00000

2.00000

safety references :

European Food Safety Athority(efsa) :

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

EPI System :

view

NIOSH International Chemical Safety Cards :

NLM Hazardous Substances Data Bank :

Cancer Citations :

Toxicology Citations :

Env. Mutagen Info. Center :

NLM Developmental and Reproductive Toxicity :

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

WISER :

UN 2245

WGK Germany :

cyclopentanone

(EINECS) number :

RTECS :

chemidplus :

EPA Substance Registry Services :

120-92-3

dtp/nci :

4122

references :

cyclopentanone

fl. number :

07.149

jecfa number :

1101

NIST Chemistry WebBook :

939883218

pubchem :

151607

Cosmetics :

Cosmetic uses :

perfuming agents

other :

CosIng :

cosmetic data

VCF-Online:

VCF Volatile Compounds in Food

synonyms :
	adipic ketone
keto	cyclopentane
	dumasin
keto	pentamethylene
soluble in :
	alcohol
	water, 9180 mg/L @ 25C
insoluble in :
	water
(odor and/or flavor) used in :
	herbal
	mint
natural occurrence in :
	coffee aroma
	flour wheat flour
data page	lavender oil spike spain @ 0.018%

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