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1-(1-Ethyl-1H-pyrrol-2-yl)ethanone

1-(1-Ethyl-1H-pyrrol-2-yl)ethanone structure

CAS No:
39741-41-8
Formula:
C8H11NO
Chemical Name:
1-(1-Ethyl-1H-pyrrol-2-yl)ethanone
Synonyms:
Ethanone,1-(1-ethyl-1H-pyrrol-2-yl)-;1-(1-Ethyl-1H-pyrrol-2-yl)ethanone;1-Ethyl-2-acetylpyrrole;N-Ethyl-2-acetylpyrrole;1-(1-Ethylpyrrol-2-yl)ethanone;1-(1-Ethyl-1H-pyrrol-2-yl)ethan-1-one
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

1-Ethyl-2-acetylpyrrole ha a warm, nutty, ethereal aroma.

Liquid|Colourless to yellowish liquid; Warm, nutty, ethereal aroma

2-Acetyl-1-ethylpyrrole is an aromatic ketone.

1-(1-Ethyl-1H-pyrrol-2-yl)ethanone Basic Attributes

Molecular Weight：

137.18

Exact Mass：

137.18

UNII：

VX0ULZ3H4U

DSSTox ID：

DTXSID6068199

HScode：

2933990090

Characteristics

PSA：

XLogP3：

Appearance：

Colourless to yellowish liquid; Warm, nutty, ethereal aroma

Density：

1.0±0.1 g/cm3

Boiling Point：

82 °C @ Press: 12 Torr

Flash Point：

86.4±19.8 °C

Refractive Index：

1.506

Water Solubility：

3716 mg/L @ 25 °C (est)|Soluble in fixed oils and propylene glycol|Soluble (in ethanol)

Safety Information

hazard class code：

36/37/38-36

safety instructions：

26-37/39

Marks：

Precautionary statement(s)：

P264, P280, P302+P352, P321, P332+P313, P362

Hazard Statements：

H315

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P321, P332+P313, and P362|Aggregated GHS information provided by 114 companies from 3 notifications to the ECHA C&L Inventory.

1-(1-Ethyl-1H-pyrrol-2-yl)ethanone Use and Manufacturing

Methods of Manufacturing

1) Take a 2.1L three-necked flask and install a stirrer, thermometer, and constant pressure dropping funnel. Place the lower part of the three-necked flask in a water tub to cool down; 2) K0H 140.0g (2.125mol), water 180ml, octadecyltrimethylammonium chloride 8.0g (0.014mol) 2-acetylpyrrole 60.0g (0.545) were added to the bottle , stirred and dissolved, heated up to 80~ 90°C simultaneously ; 3) Diethyl carbonate 94.9g (0.805) was added dropwise at a controlled temperature of 80-90°C, drowse addition for 1 h; 4) After completion of the incubation, the reaction temperature was 80 ~ 90 °C for about 1 hour; 5) 120ml water was dissolved, while cooled to about 60 ° C; 6) Temperature control 60 ± 5°C, with about 140ml concentrated hydrochloric acid and the reaction solution pH was adjusted to 7; 7) Withdrawal of thermal stratification, discarding the lower aqueous phase, the upper oil layer was crude product of 72g, the content of about 95.8percent; 8) Decompression to obtain finished product 56.6g, content 99percent.

Uses

Used in edible flavors such as coffee and fruits

Manufacturing Info：

Ethanone, 1-(1-ethyl-1H-pyrrol-2-yl)-: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:137.18
XLogP3:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:137.084063974
Monoisotopic Mass:137.084063974
Topological Polar Surface Area:22
Heavy Atom Count:10
Complexity:133
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Recommended Suppliers of 1-(1-Ethyl-1H-pyrrol-2-yl)ethanone

Shandong Airuike Chemical Co., Ltd. Contact Supplier

CN
2 YRS

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2-Acetyl-1-Ethylpyrrole

Unit Price: $1 /KG EXW

CAS No.: 39741-41-8

Grade: pharmaceutical grade

Content: 99%

Inquiry
Henan Aochuang Chemical Co., Ltd. Contact Supplier

CN
4 YRS

Business licensed

Trader Supplier of Liquid crystals,Flavor&Fragrances,Pharmaceutical intermediates,OLED intermediate

2-Acetyl-1-ethylpyrrole

CAS No.: 39741-41-8

Content: 98%

Inquiry
Shanghai Lonwin Chemical Co.,Ltd Contact Supplier

CN
3 YRS

Business licensed

Trader Supplier of CHEMICALS,REAGENTS

High quality N-Ethyl-2-Acetylpyrrole CAS NO.39741-41-8

CAS No.: 39741-41-8

Grade: Pharmaceutical Grade

Content: 99%

Inquiry
Shandong Ailike New Material Technology Contact Supplier

CN
2 YRS

Business licensed

Trader Supplier of API,Antibiotics,Anti cancer category

2-Acetyl-1-Ethylpyrrole

Unit Price: $1 /KG EXW

CAS No.: 39741-41-8

Grade: pharmaceutical grade

Content: 99%

Inquiry

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Guide of 1-(1-Ethyl-1H-pyrrol-2-yl)ethanone

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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1-(1-Ethyl-1H-pyrrol-2-yl)ethanone

SDS

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