Ethyl tridecanoate

Basic Information

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CAS Number

28267-29-0

Molecular Formula

C15H30O2

Molecular Weight

242.4 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 Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

19°C (estimate)

Boiling Point

198°C/60mmHg

Flash Point

>110°C

Refractive Index

n20/D 1.434(lit.)

SMILES

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CCCCCCCCCCCCC(=O)OCC

InChI

InChI=1S/C15H30O2/c1-3-5-6-7-8-9-10-11-12-13-14-15(16)17-4-2/h3-14H2,1-2H3

InChIKey

QJYYMNOTJXIOBP-UHFFFAOYSA-N

LogP

4.8605000000000045

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

166

Synonyms & References

English

Tridecanoic acid, 1,1'-((1-methylethylidene)bis(4,1-phenyleneoxy-2,1-ethanediyl)) ester
AKOS015839776
EINECS 248-929-2
HY-W127439
Tridecanoic acid, ethyl ester
Ethyl tridecanoate
DTXSID8067369
n-Tridecanoic acid ethyl ester
A819395
D92425
FT-0626247
SCHEMBL1645398
LS-14455
28267-29-0
NS00028442
Ethyl tridecanoate, >=99%
AI3-36610
QJYYMNOTJXIOBP-UHFFFAOYSA-N
Tridecanoic acid,ethyl ester
CHEBI:172102
T0959
CS-0185671
Tridecanoic acid ethyl ester
MFCD00008978
Aethyltridecylat
ethyl myristate
Ethyl tridecanoate1000µg
ethyl tridecanoic acid
N-TRIDECANOIC ACID ETHYL ESTER
RARECHEM AL BI 0158
Tridecansaeure-aethylester

MDL Number

MFCD00008978

Customs Code

2915900090

FAQ

What are the physical and chemical properties of Ethyl tridecanoate (CAS: 28267-29-0)?

Ethyl tridecanoate (CAS: 28267-29-0) is a colorless liquid with a fruity odor. It has a molecular weight of approximately 286.42 g/mol and a melting point of -35°C. The compound is poorly soluble in water but miscible with most organic solvents. It is relatively stable under normal conditions but can react with strong oxidizers. Its vapor pressure is low, and it has a flash point of 77°C, indicating it is flammable.

How is Ethyl tridecanoate (CAS: 28267-29-0) typically synthesized?

Ethyl tridecanoate (CAS: 28267-29-0) is typically synthesized via esterification of tridecanoic acid with ethanol in the presence of an acid catalyst, such as sulfuric acid or hydrochloric acid. The reaction is carried out in an aqueous phase, and the ester is separated by distillation. The process yields a product with a high degree of selectivity and a purity of over 95%.

What industries use Ethyl tridecanoate (CAS: 28267-29-0)?

Ethyl tridecanoate (CAS: 28267-29-0) is used in the fragrance and flavor industry to provide fruity notes. It is also used in the pharmaceutical industry as a raw material for the synthesis of other compounds. Additionally, it is utilized in the polymer industry as a plasticizer and in the formulation of inks and paints. Its properties make it suitable for use in sensors and as a solvent in various applications.

What precautions should be taken when handling Ethyl tridecanoate (CAS: 28267-29-0)?

Ethyl tridecanoate (CAS: 28267-29-0) should be handled with care due to its flammability. Proper personal protective equipment (PPE), including gloves, goggles, and a lab coat, should be worn. Work should be conducted in a well-ventilated area or fume hood. In the event of a spill, immediately clean up using appropriate absorbent materials and dispose of them according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed safety information.