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Methyl 2-octynoate

CAS 111-12-6CH3(CH2)4C≡CCO2CH3Chemical Synthesis

Methyl 2-octynoate (CAS: 111-12-6), with the molecular formula C9H14O2 and a molar mass of 154.21 g/mol, is an ester featuring a terminal alkyne. It is primarily utilised as a versatile building block in organic synthesis. This compound serves as an intermediate in the creation of more complex molecules for various chemical research and development applications.

IUPAC
Methyl heptine carbonate,NSC 72098
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Methyl 2-octynoate (CH3(CH2)4C≡CCO2CH3) — chemical structure, CAS 111-12-6; Chemistry, fine chemical supplied by Tech Serve Solutions
Building BlocksC8 to C9Carbonyl CompoundsChemical SynthesisEsters
01 /Applications

Organic Synthesis Intermediate

Methyl 2-octynoate is a key intermediate in the synthesis of complex organic molecules. Its alkyne functionality allows for various carbon-carbon bond-forming reactions, making it valuable in the development of new chemical entities.

Research and Development

Utilised in academic and industrial research laboratories, this ester aids in exploring novel synthetic pathways and developing new materials. It serves as a foundational component for advanced chemical investigations.

Building Block for Fine Chemicals

As a C8 to C9 building block, Methyl 2-octynoate is incorporated into the structure of various fine chemicals. Its specific structure allows for precise molecular design in multi-step synthesis projects.

02 /Properties
Molecular weight154.21
Linear formulaCH3(CH2)4C≡CCO2CH3
Assay99%
Boiling point217-220 °C(lit.)
Density0.92 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.446(lit.)
03 /Safety & handling
GHS hazard pictogram: Harmful / irritant (GHS07)
Harmful / irritant
Warning

Hazard statements

  • H302Harmful if swallowed
  • H315Causes skin irritation
Protective equipmentEyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Flash point89 °C / 192.2 °F
Transport (UN / ADR)NA 1993 / PGIII
Water hazard class (WGK, DE)3
Hazard codes (EU)Xn
Risk statements (R)22-38
Safety statements (S)26-36

Hazard information is provided for guidance. Always consult the product Safety Data Sheet (SDS), available on request, before handling.

04 /Identifiers & registry
CAS number
111-12-6
MDL number
MFCD00009530
PubChem substance
24856766
Beilstein registry
1756887
05 /Quality & supply

Documentation

Every batch ships with a Certificate of Analysis covering assay, identity and purity; the grade is confirmed against your enquiry. Safety Data Sheets and technical data sheets are available on request.

Supply & logistics

Samples for technical evaluation; bulk MOQ by grade and packaging. In-stock material ships in 7–10 working days, worldwide, with full export documentation.

06 /Frequently asked questions

What is Methyl 2-octynoate used for?

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Methyl 2-octynoate (CAS: 111-12-6) is primarily used as a building block in organic synthesis and for research and development in the chemical sciences.

What are the CAS number and chemical formula for Methyl 2-octynoate?

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The CAS number for Methyl 2-octynoate is 111-12-6, and its chemical formula is CH3(CH2)4C≡CCO2CH3.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies Methyl 2-octynoate with an assay of 99%. This product is suitable for research and general chemical synthesis purposes. TSS does not represent this product as USP, BP, or EP grade.

How should Methyl 2-octynoate be handled?

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Methyl 2-octynoate is classified as a Warning with hazards H302 (Harmful if swallowed) and H315 (Causes skin irritation). Handle with appropriate personal protective equipment, including eyeshields, gloves, and adequate ventilation. Consult the Safety Data Sheet for full details.

Is Methyl 2-octynoate packed and exported by TSS?

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Yes, Tech Serve Solutions supplies and exports Methyl 2-octynoate. We ensure appropriate packaging for safe transit and adherence to international shipping regulations, including NA 1993.

How can I request a quote or sample?

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To request a quote or order a sample of Methyl 2-octynoate, please contact the Tech Serve Solutions sales team through our website or by phone. Details are available in the contact section.

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