Ethyl 2-(pyridin-3-yl)acetate

Basic Information

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CAS Number

39931-77-6

Molecular Formula

C9H11NO2

Molecular Weight

165.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

120°C/3mmHg

Refractive Index

n20/D 1.500(lit.)

SMILES

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CCOC(=O)CC1=CN=CC=C1

InChI

InChI=1S/C9H11NO2/c1-2-12-9(11)6-8-4-3-5-10-7-8/h3-5,7H,2,6H2,1H3

InChIKey

RPWXYCRIAGBAGY-UHFFFAOYSA-N

LogP

1.1872

Topological Polar Surface Area

39.19 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

148

Safety Information

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GHS Hazard Pictograms

H315

H319

H335

Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

Ethyl 3-pyridylacetate
pyridine-3-acetic acid ethyl ester
2-pyridin-3-yl-acetic acid ethyl ester
SB37029
J-800116
Z982129808
HY-W002001
CS-W002001
2-(PYRIDIN-3-YL)ACETIC ACID ETHYL ESTER
AKOS005207148
NSC76091
UNII-EA77BEX7VQ
ethyl 2-(pyridin-3-yl)acetate
J-640114
NS00030688
ethyl-3-pyridyl-acetate
E0874
39931-77-6
Ethyl 3-pyridinylacetate
EA77BEX7VQ
3-Pyridylacetic Acid Ethyl Ester
FG-0454
EINECS 254-707-6
(3-PYRIDYL)ACETIC ACID ETHYL ESTER
FT-0626274
NSC-76091
Ethyl (pyridin-3-yl)acetate
Ethyl 3-pyridinylacetate #
ethyl pyridine-3-acetate
ethyl pyridin-3-ylacetate
DTXSID50192984

MDL Number

MFCD00006411

Customs Code

2933399090

FAQ

What is Ethyl 2-(pyridin-3-yl)acetate (CAS: 39931-77-6)?

Ethyl 2-(pyridin-3-yl)acetate (CAS: 39931-77-6) is an organic compound with the molecular formula C8H10N2O2. It is a colorless to light yellow liquid with a distinctive odor. This compound is characterized by its acetate ester and pyridine functional groups.

What are the main uses of Ethyl 2-(pyridin-3-yl)acetate (CAS: 39931-77-6)?

Ethyl 2-(pyridin-3-yl)acetate (CAS: 39931-77-6) is primarily used as a flavor and fragrance ingredient in the food and cosmetic industry. It is also used in the pharmaceutical industry as a precursor for drug synthesis and in research for its chemical properties.

Is Ethyl 2-(pyridin-3-yl)acetate (CAS: 39931-77-6) safe?

Ethyl 2-(pyridin-3-yl)acetate (CAS: 39931-77-6) is generally considered safe when used in the concentrations found in food, cosmetics, and pharmaceuticals. However, it should be handled with care, as it may cause eye and skin irritation. Protective measures include the use of gloves and eye protection.

How should Ethyl 2-(pyridin-3-yl)acetate (CAS: 39931-77-6) be stored?

Ethyl 2-(pyridin-3-yl)acetate (CAS: 39931-77-6) should be stored in a cool, dry place away from direct sunlight and heat sources to prevent degradation. Store it in a tightly sealed container to maintain its purity. Avoid contact with water and oxidizing agents.