Methyl 2-octynoate

Basic Information

View in Editor

CAS Number

111-12-6

Molecular Formula

C9H14O2

Molecular Weight

86.18 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 Nitriles

Basic Physical Properties

Boiling Point

217-220 °C

Refractive Index

n20/D 1.446(lit.)

SMILES

View in Editor

CCCCCC#CC(=O)OC

InChI

InChI=1S/C9H14O2/c1-3-4-5-6-7-8-9(10)11-2/h3-6H2,1-2H3

InChIKey

FRLZQXRXIKQFNS-UHFFFAOYSA-N

LogP

2.5866000000000007

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

171

Safety Information

View Safety Information

GHS Hazard Pictograms

H302

H315

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

Sensitiveness

对空气敏感

Synonyms & References

English

Methyl oct-2-ynoate
2-Octynoic acid methyl ester
Methyl heptine carbonate
Methyl 2-Octynoate
Methyl heptyne carbonate
1-Heptyne-1-carboxylic Acid Methyl Ester
Caprylic acid methyl ester
Methyl 1-Heptyne-1-carboxylate
Methyl caprylate
Methyl octanoate
NSC 72098
Methyl hept-1-yne-1-carboxylate
folione
methyl 2-octinate
FEMA 2729
methyl2-oct
METHYLOCTYNOATE
Methyl 2-octynate
METHYL-2-OCTNOATE
Methyloct-2-inoat
methyl2-octinate
2-OCTYNOIC ACID, METHYL ESTER
Vert de violette, artificial
Methyl pentylacetylenecarboxylate
Octynoic acid, methyl ester
FEMA No. 2729
0TTP6YT2T3
FRLZQXRXIKQFNS-UHFFFAOYSA-N
2-Octynoic acid methyl
2-Octynoic Acid Methyl Ester
methyl 2-octynoate

MDL Number

MFCD00009530

Customs Code

2916190090

FAQ

What is Methyl 2-octynoate (CAS: 111-12-6)?

Methyl 2-octynoate is an organic compound with the CAS number 111-12-6. It is a colorless to light yellow liquid with a fruity odor. This compound is used in perfumery and flavoring agents due to its pleasant fragrance. It is also used in the synthesis of other chemicals and as a solvent in certain applications.

What are the main uses of Methyl 2-octynoate (CAS: 111-12-6)?

Methyl 2-octynoate is primarily used in the fragrance and flavor industry as a fragrance ingredient. It serves as a natural or synthetic component in perfumes and food flavorings. Additionally, it is used in the chemical industry for the production of other compounds and as a solvent.

Is Methyl 2-octynoate (CAS: 111-12-6) safe?

Methyl 2-octynoate is generally considered safe for use in small quantities. However, it should be handled with care as it can irritate the skin and eyes. Proper protective measures, such as wearing gloves and goggles, are recommended. It is important to follow safety guidelines and use in well-ventilated areas to minimize risk.

How should Methyl 2-octynoate (CAS: 111-12-6) be stored?

Methyl 2-octynoate should be stored in a cool, dry place away from direct sunlight and heat sources to prevent degradation. It should be kept in a tightly sealed container to avoid exposure to air and moisture. Storage at temperatures below 25°C is recommended to ensure stability and prevent chemical changes.