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3-Acetylpyridine

3-Acetylpyridine structure

CAS No:
350-03-8
Formula:
C7H7NO
Chemical Name:
3-Acetylpyridine
Synonyms:
Ethanone,1-(3-pyridinyl)-;Ketone,methyl 3-pyridyl;1-(3-Pyridinyl)ethanone;β-Acetylpyridine;3-Acetylpyridine;Methyl β-pyridyl ketone;Methyl 3-pyridyl ketone;3-Acetopyridine;3-Pyridyl methyl ketone;3-Pyridinyl methyl ketone;NSC 761;1-(Pyridin-3-yl)ethan-1-one;1-(Pyridn-3-yl)ethanone;Methyl pyridin-3-yl ketone;1-(3-Pyridyl)ethanone;3-Pyridylethanone
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

Liquid|Colourless to yellow liquid; Sweet, nutty, popcorn-like aroma

3-Acetylpyridine is an aromatic ketone.

3-Acetylpyridine Basic Attributes

Molecular Weight：

121.14

Exact Mass：

121.14

BRN：

107751

EC Number：

206-496-7

UNII：

00QT8FX306

NSC Number：

761

DSSTox ID：

DTXSID7044421

HScode：

29333999

Characteristics

PSA：

XLogP3：

0.4

Appearance：

Clear colorless to yellow Liquid

Density：

1.1±0.1 g/cm3

Melting Point：

13.5 °C

Boiling Point：

220 °C

Flash Point：

302 °F

Refractive Index：

1.514

Water Solubility：

soluble in hot water

Storage Conditions：

Refrigerator

Toxicity：

Oral-rat LD50: 46 μl/kg; Abdominal cavity-mouse LD50: 182 mg/kg

Flammability characteristics：

Flammable; decomposes by heating to release toxic nitrogen oxide fumes

Henrys Law Constant：

2.13e-08 atm-m3/mole

Safety Information

Packing level：

Ⅲ

Hazard category：

6.1

Transport codes：

UN 2810 6.1/PG 3

wgk germany：

hazard class code：

25-36/38-36/37/38-20/21/22

safety instructions：

S26-S28-S37/39-S45

RTECS Number：

OB5425000

Marks：

T,Xi,Xn

Storage features：

Warehouse ventilated, low temperature and dry

Hazard note：

Irritant

Precautionary statement(s)：

P301 + P310

Hazard Statements：

H301

GHS Classification：

|Danger|H301 (99.88%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 1651 companies from 6 notifications to the ECHA C&L Inventory.

Toxicity

Toxicity class：

highly

Drug Information

MeSH：

Compounds or agents that combine with an enzyme in such a manner as to prevent the normal substrate-enzyme combination and the catalytic reaction. (See all compounds classified as Enzyme Inhibitors.)|Toxic substances from microorganisms, plants or animals that interfere with the functions of the nervous system. Most venoms contain neurotoxic substances. Myotoxins are included in this concept. (See all compounds classified as Neurotoxins.)

MeSH Entry Terms：

1-pyridin-3-yl-ethanone

3-Acetylpyridine Use and Manufacturing

Methods of Manufacturing

It is obtained by dry distillation of calcium niacin and calcium acetate.

Uses

spices. Mainly used to prepare flavors such as popcorn, peanuts, meat and tobacco. Risedronate sodium intermediate. Used as an intermediate of risedronate sodium for the treatment of osteoporosis

Manufacturing Info：

Ethanone, 1-(3-pyridinyl)-: ACTIVE

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:121.14
XLogP3:0.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:121.052763847
Monoisotopic Mass:121.052763847
Topological Polar Surface Area:30
Heavy Atom Count:9
Complexity:112
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Acetylpyridine

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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3-Acetylpyridine

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