1-ethyl-2-acetyl pyrrole 39741-41-8

1-ethyl-2-acetyl pyrrole

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IUPAC name :

1-(1-ethylpyrrol-2-yl)ethanone

InChI :

InChI=1/C8H11NO/c1-3-9-6-4-5-8(9)7(2)10/h4-6H,3H2,1-2H3

InChIKey :

HQADRFRTIALOCB-UHFFFAOYAZ

SMILES :

CCN1C=CC=C1C(=O)C

cas number :	39741-41-8
fema number :	3147
coe number :	11371
jecfa number :	1305
fl. number :	14.045
molar refractivity :	41.29 ± 0.5 cm3
parachor :	333.1 ± 8.0 cm3
index of refraction :	1.506 ± 0.05
surface tension :	33.0 ± 7.0 dyne/cm
density :	0.98 ± 0.1 g/cm3
polarizability :	16.37 ± 0.5 10-24cm3
XlogP :	1.40
molecular weight :	137.1790400
formula :	C8 H11 N O
NMR Predictor :	Predict

export tariff code :

unspecified

fda reg :

unspecified

Suppliers :

Penta :

1-ethyl-2-acetylpyrrole

organoleptics :

odor type :

nutty

odor strength :

high ,
recommend smelling in a 0.10 % solution or less

odor description :
at 0.10 % in dipropylene glycol.

nutty

properties :

appearence :

colorless to pale yellow clear liquid

assay :

98.00 to 100.00 %

Food Chemicals Codex Listed :

specific gravity :

1.05200 to 1.05800 @ 25.00 °C.

pounds per gallon - calc. :

8.754 to 8.804

refractive index :

1.55000 to 1.55600 @ 20.00 °C.

boiling point :

209.00 to 211.00 °C. @ 760.00 mm Hg

acid value :

1.00 max. KOH/g

flash point :

187.00 °F. TCC ( 86.11 °C. )

logP (o/w) :

1.19

safety :

Oral Toxicity(LD50) :

Not determined

Dermal Toxicity(LD50) :

Not determined

Inhalation Toxicity(LC50) :

Not determined

safety in use :

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

ND (μg/capita/day)

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

0.009 (μg/capita/day)

recommendation for 1-ethyl-2-acetyl pyrrole usage levels up to :

not for fragrance use.

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

Canada Domestic Sub. List :

Yes

EPA Chem. Sub. Inventory :

Yes

1-(1-ethylpyrrol-2-yl)ethanone

chemidplus :

039741418

EPA Substance Registry Services :

39741-41-8

references :

1-(1-ethylpyrrol-2-yl)ethanone

fl. number :

14.045

jecfa number :

1305

pubchem :

198436

other :

synonyms :
2-	acetyl-1-ethyl pyrrole
1-N-	ethyl pyrrol-2-yl ethanone
1-(1-	ethyl pyrrol-2-yl) ethanone
1-(1-	ethyl-1H-pyrrol-2-yl) ethanone
1-	ethyl-2-acetyl azole
N-	ethyl-2-acetyl pyrrole
1-(1-	ethylpyrrol-2-yl)ethanone
soluble in :
	alcohol
insoluble in :
	water
(odor and/or flavor) used in :
	nut
	tea green tea
natural occurrence in :
	not found in nature

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