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2-Acetyl-1-methylpyrrole

2-Acetyl-1-methylpyrrole structure

CAS No:
932-16-1
Formula:
C7H9NO
Chemical Name:
2-Acetyl-1-methylpyrrole
Synonyms:
Ethanone,1-(1-methyl-1H-pyrrol-2-yl)-;Ketone,methyl 1-methylpyrrol-2-yl;1-(1-Methyl-1H-pyrrol-2-yl)ethanone;N-Methyl-2-acetylpyrrole;1-Methyl-2-acetylpyrrole;2-Acetyl-1-methylpyrrole;2-Acetyl-N-methylpyrrole;N-Methyl-2-pyrrolylethanone;NSC 87239;1-(1-Methyl-1H-pyrrol-2-yl)ethan-1-one;N-Methyl-5-acetylpyrrole;1-(1-Methylpyrrol-2-yl)ethanone
Categories:
Flavors and Fragrances > Synthetic Fragrances

Description

CLEAR COLOURLESS TO LIGHT BROWN LIQUID

Colourless to yellowish liquid; Earthy aroma

1-methyl-2-acetylpyrrole is a pyrrole carrying methyl and acetyl substituents at the 1- and 2-positions respectively. It is a member of pyrroles, a methyl ketone and an aromatic ketone.

2-Acetyl-1-methylpyrrole Basic Attributes

Molecular Weight：

123.15

Exact Mass：

123.15

BRN：

111887

EC Number：

213-247-6

UNII：

6712EFN084

NSC Number：

87239

DSSTox ID：

DTXSID6022139

HScode：

2933990090

Characteristics

PSA：

XLogP3：

0.7

Appearance：

Colourless to yellowish liquid; Earthy aroma

Density：

1.0445 g/cm³ @ Temp: 15 °C

Boiling Point：

199-201 °C @ Press: 739 Torr

Flash Point：

155 °F

Refractive Index：

1.510

Water Solubility：

Soluble (in ethanol)

Storage Conditions：

Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.

Safety Information

Hazard category：

IRRITANT

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

24/25

Stability/Shelf Life：

Stable under normal temperatures and pressures.

Precautionary statement(s)：

P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501

Hazard Statements：

H315

GHS Classification：

Not Classified

Drug Information

MeSH Entry Terms：

2-acetyl-1-methylpyrrole

2-Acetyl-1-methylpyrrole Use and Manufacturing

Uses

Used in edible flavors such as coffee and fruits

Manufacturing Info：

Ethanone, 1-(1-methyl-1H-pyrrol-2-yl)-: INACTIVE

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:123.15
XLogP3:0.7
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:123.068413911
Monoisotopic Mass:123.068413911
Topological Polar Surface Area:22
Heavy Atom Count:9
Complexity:122
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-Acetyl-1-methylpyrrole

Description
Basic Attributes
Characteristics
Safety Information
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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2-Acetyl-1-methylpyrrole

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