2-acetyl cyclopentanone 1670-46-8

2-acetyl cyclopentanone

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IUPAC name :

2-acetylcyclopentan-1-one

InChI :

InChI=1/C7H10O2/c1-5(8)6-3-2-4-7(6)9/h6H,2-4H2,1H3

InChIKey :

OSWDNIFICGLKEE-UHFFFAOYAN

SMILES :

CC(=O)C1CCCC1=O

cas number :	1670-46-8
(EINECS) number :	216-797-5
beilstein number :	1857601
fl. number :	07.144
molar refractivity :	32.39 ± 0.3 cm3
parachor :	289.0 ± 6.0 cm3
index of refraction :	1.468 ± 0.02
surface tension :	37.9 ± 3.0 dyne/cm
density :	1.083 ± 0.06 g/cm3
polarizability :	12.84 ± 0.5 10-24cm3
XlogP :	-0.20
XlogP3-AA :	0.30
molecular weight :	126.1531000 (IUPAC)
formula :	C7 H10 O2
BioActivity Analysis :	426915
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Nanjing :

2-acetylcyclopentanone

Sigma-Aldrich-Aldrich :

2-Acetyl cyclopentanone

TCI AMERICA :

2-Acetylcyclopentanone
>95.0%(GC)

organoleptics :

properties :

assay :

95.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

1.04300 @ 25.00 °C.

boiling point :

72.00 to 75.00 °C. @ 8.00 mm Hg

boiling point :

196.00 to 198.00 °C. @ 760.00 mm Hg

flash point :

161.00 °F. TCC ( 71.67 °C. )

logP (o/w) :

-0.48

safety :

most important hazard(s) :

Xn - Harmful.

R 22 - Harmful if swallowed.
S 02 - Keep out of the reach of children.
S 20/21 - When using do not eat, drink or smoke.
S 24/25 - Avoid contact with skin and eyes.
S 36/37/39 - Wear suitable clothing, gloves and eye/face protection.

Oral Toxicity(LD50) :

Oral-Rat 840.00 ul/kg
Acute Toxicity Data. Journal of the American College of Toxicology, Part B. Vol. 1, Pg. 680, 1992.

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

recommendation for 2-acetyl cyclopentanone usage levels up to :

not for fragrance use.

safety references :

EPI System :

view

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

WGK Germany :

2-acetylcyclopentan-1-one

(EINECS) number :

216-797-5

RTECS :

GY4728000 for 1670-46-8

chemidplus :

001670468

EPA Substance Registry Services :

1670-46-8

dtp/nci :

141181

references :

2-acetylcyclopentan-1-one

fl. number :

07.144

NIST Chemistry WebBook :

3143283392

pubchem :

675760

Cosmetics :

Cosmetic uses :

perfuming agents

other :

CosIng :

cosmetic data

synonyms :
2-	acetyl cyclopentan-1-one
alpha-	acetyl cyclopentanone
ortho-	acetyl cyclopentanone
2-	acetylcyclopentan-1-one
soluble in :
	alcohol
insoluble in :
	water
natural occurrence in :
	not found in nature

information only - not sold by The Good Scents Company.

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