Methyl tridecanoate

Basic Information

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CAS Number

61788-59-8

Molecular Formula

C14H28O2

Molecular Weight

228.38 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

SMILES

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CCCCCCCCCCCCC(=O)OC

InChI

InChI=1S/C14H28O2/c1-3-4-5-6-7-8-9-10-11-12-13-14(15)16-2/h3-13H2,1-2H3

InChIKey

JNDDPBOKWCBQSM-UHFFFAOYSA-N

LogP

4.470400000000004

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

155

Synonyms & References

English

NSC 163375
Methyl n-tridecanoate
Methyl tridecanoate, >=97% (GC)
QSPL 203
EINECS 267-018-0
methyl tridecylate
SCHEMBL1647268
67762-40-7
SY051771
METHYL TRIDECANOATE
Q24764359
NSC-163375
A881801
6-OXO-9ALPHA,11ALPHA,15S-TRIHYDROXY-PROSTA-13E,17Z-DIEN-1-OICACID
Tridecanoic acid, methyl ester
MFCD00008977
1731-88-0
FT-0633801
EINECS 217-054-8
UNII-O2H463RING
BRN 1769695
CHEBI:143578
4-02-00-01118 (Beilstein Handbook Reference)
NS00025675
n-Tridecanoic acid methyl ester
61788-59-8
T0960
BAA73188
tridecanoic acid-methyl ester
HY-W004287
Methyl tridecanoate, analytical standard

MDL Number

MFCD00008977

FAQ

What regulatory guidelines apply to Methyl tridecanoate (CAS: 61788-59-8)?

Methyl tridecanoate (CAS: 61788-59-8) is subject to regulatory guidelines under the Globally Harmonized System of Classification and Labeling of Chemicals (GHS), REACH regulations in the European Union, and FDA and EPA regulations in the United States. These guidelines cover handling, storage, and disposal, ensuring safety and environmental protection.

Are there alternatives to Methyl tridecanoate (CAS: 61788-59-8) in synthesis?

In synthesis, alternatives to Methyl tridecanoate (CAS: 61788-59-8) include other esters like propyl tridecanoate or butyl tridecanoate. Isomers such as cis/trans isomers can also be used, and common alternatives include fatty acid methyl esters synthesized from different fatty acids.

What is the market or research trend for Methyl tridecanoate (CAS: 61788-59-8)?

The market for Methyl tridecanoate (CAS: 61788-59-8) is growing due to its use in fragrance and flavor industries. Research trends include exploring its potential in biofuel applications and as a renewable chemical. Market dynamics are driven by increasing demand from the cosmetic and food industries, with a focus on sustainable and eco-friendly products.

How should waste containing Methyl tridecanoate (CAS: 61788-59-8) be handled?

Waste containing Methyl tridecanoate (CAS: 61788-59-8) should be collected in appropriate containers and stored safely to prevent spillage. Proper disposal methods include incineration or professional waste disposal services that comply with local regulations. Environmental precautions include ensuring that waste does not enter water bodies or soil. Safe handling and disposal practices are crucial to protect the environment and human health.