Methyl 6-octadecenoate

Basic Information

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CAS Number

14620-36-1

Molecular Formula

C19H36O2

Molecular Weight

296.5 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

Boiling Point

165°C/3mmHg

Flash Point

92.4±20.4 ºC,

Solubility

Insuluble (1.1E-3 g/L) (25 ºC),

Refractive Index

1.4490 to 1.4530

SMILES

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CCCCCCCCCCCC=CCCCCC(=O)OC

InChI

InChI=1S/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h13-14H,3-12,15-18H2,1-2H3/b14-13+

InChIKey

QRTVDKVXAFJVRU-BUHFOSPRSA-N

LogP

6.1969000000000065

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

246

Safety Information

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GHS Hazard Pictograms

H227

Hazard Statement

H227 Combustible liquid
Flammable liquids

Synonyms & References

English

Methyl 6-trans-octadecenoate
Methyl trans-6-Octadecenoate
PETROSELAIDIC ACID METHYL ESTER(RG)
Methyl 6-trans-octadecenoate1000µg
Methyl Petroselaidate
trans-6-Octadecenoic Acid Methyl Ester
Petroselaidic Acid Methyl Ester
Methyl pestroselaidate
OCTADECENOIC ACID, TRANS-6-
Methyl pestroselaidate, Methyl trans-6-octadecenoate
METHYL 6-OCTADECENOATE
6-Octadecenoic acid, methyl ester
methyl petro-selinate
methyl (E)-octadec-6-enoate
(E)-methyl octadec-6-enoate
6-Octadecenoic acid methyl ester
Methyl (6E)-6-octadecenoate #
QRTVDKVXAFJVRU-BUHFOSPRSA-N
Methyl petroselinate, >=99%, liquid
(E)-6-Octadecenoic acid methyl ester
trans-6-Octadecenoic Acid Methyl Est
Methyl petroselaidate
Methyl trans-6-octadecenoate
METHYL 6-TRANS-OCTADECENOATE
trans-6-Octadecenoic acid methyl ester
trans-6-octadecenoic acidmethyl ester
Methyl trans-6-Octadecenoate (10mg/mL in Heptane)
M2310
52355-31-4
SCHEMBL8982931
T72212

MDL Number

MFCD00056193

FAQ

What are the physical and chemical properties of Methyl 6-octadecenoate (CAS: 14620-36-1)?

Methyl 6-octadecenoate (CAS: 14620-36-1) is a colorless liquid with a fruity odor. Its molecular weight is approximately 254.43 g/mol, and it is slightly soluble in water. It is reactive towards bases and oxidizing agents. This compound is used in fragrance and flavor formulations, and it also has applications in polymer synthesis and as a solvent.

How is Methyl 6-octadecenoate (CAS: 14620-36-1) typically synthesized?

Methyl 6-octadecenoate is usually synthesized via esterification of 6-octadecenoic acid with methanol in the presence of a strong acid catalyst, such as sulfuric acid. The reaction is typically conducted at temperatures around 100°C. Optimal conditions include a molar ratio of 1:2 (acid:methanol) and a reaction time of 4-6 hours. Good yield is achieved with high selectivity towards the desired ester product.

What industries use Methyl 6-octadecenoate (CAS: 14620-36-1)?

Methyl 6-octadecenoate (CAS: 14620-36-1) is widely used in the fragrance and flavor industry for its fruity scent. It is also employed in the polymer industry as a plasticizer and in the production of biodegradable polymers. Additionally, it has applications in the cosmetic industry for skin care products and in the food industry for flavoring agents.

What precautions should be taken when handling Methyl 6-octadecenoate (CAS: 14620-36-1)?

When handling Methyl 6-octadecenoate (CAS: 14620-36-1), it is important to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Ensure the use of a fume hood to minimize inhalation risks. Store the compound in a cool, dry place away from heat and sources of ignition. In case of a spill, neutralize with an appropriate base and dispose of according to local regulations. Always consult the Safety Data Sheet (SDS) for detailed handling and emergency procedures.