butanoic acid 3-phenyl-2-propenyl ester

Basic Information

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CAS Number

103-61-7

Molecular Formula

C13H16O2

Molecular Weight

204.27 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

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

300 °C

Flash Point

>230 °F

Refractive Index

n20/D 1.526(lit.)

SMILES

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CCCC(=O)OCC=CC1=CC=CC=C1

InChI

InChI=1S/C13H16O2/c1-2-7-13(14)15-11-6-10-12-8-4-3-5-9-12/h3-6,8-10H,2,7,11H2,1H3

InChIKey

YZYPQKZWNXANRB-UHFFFAOYSA-N

LogP

3.0431000000000017

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

203

Safety Information

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GHS Hazard Pictograms

H316

Hazard Statement

H316 Causes mild skin irritation
Skin corrosion/irritation

Synonyms & References

English

BUTYRIC ACID, CINNAMYL ESTER
UNII-TKZ9V37P1G
WLN: 3VO2U1R
Phenylpropenyl n-butyrate
3-PHENYLPROP-2-EN-1-YL BUTANOATE
Cinnamyl butanoate
3-Phenylallyl butyrate
NSC30528
DTXSID901313849
Cinnamyl n-butyrate
EINECS 203-128-7
trans-Cinnamyl butyrate, analytical standard
YZYPQKZWNXANRB-UXBLZVDNSA-N
103-61-7
3-Phenyl-2-propen-1-yl butanoate
NSC-30528
3-Phenyl-2-propen-1-yl butyrate
(2E)-3-Phenyl-2-propenyl butyrate #
NS00012095
butanoic acid 3-phenyl-2-propenyl ester
Cinnamyl butyrate [FHFI]
BRN 3200585
Cinnamyl butyrate [FCC]
(2E)-3-phenylprop-2-en-1-yl butanoate
AS-64094
TKZ9V37P1G
[(E)-3-phenylprop-2-enyl] butanoate
Butanoic acid, 3-phenyl-2-propenyl ester
MFCD00027135
CHEBI:195938
AI3-02461

MDL Number

MFCD00027135

FAQ

What are the physical and chemical properties of butanoic acid 3-phenyl-2-propenyl ester (CAS: 103-61-7)?

Butanoic acid 3-phenyl-2-propenyl ester (CAS: 103-61-7) is a colorless to light yellow liquid with a molecular weight of 214.28 g/mol. It has a pungent odor and is slightly soluble in water. It is reactive towards bases and can undergo hydrolysis. This ester is used in the synthesis of pharmaceuticals and fragrances.

How is butanoic acid 3-phenyl-2-propenyl ester (CAS: 103-61-7) typically synthesized?

Butanoic acid 3-phenyl-2-propenyl ester (CAS: 103-61-7) is typically synthesized via esterification of butanoic acid with 3-phenyl-2-propenol in the presence of a strong acid catalyst such as sulfuric acid. The reaction is performed at a temperature of around 100°C, yielding a product with high selectivity and good yield.

What industries use butanoic acid 3-phenyl-2-propenyl ester (CAS: 103-61-7)?

Butanoic acid 3-phenyl-2-propenyl ester (CAS: 103-61-7) is widely used in the pharmaceutical and fragrance industries. It serves as a starting material for the synthesis of various pharmaceutical compounds and also finds application as an intermediate in the production of perfume ingredients.

What precautions should be taken when handling butanoic acid 3-phenyl-2-propenyl ester (CAS: 103-61-7)?

When handling butanoic acid 3-phenyl-2-propenyl ester (CAS: 103-61-7), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Store the compound in a cool, dry place away from sources of heat and ignition. In the case of spills, ensure the area is well-ventilated and use appropriate spill containment procedures as outlined in the Material Safety Data Sheet (SDS).