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1-Octyne

CAS 629-05-0CH3(CH2)5C≡CHChemical Synthesis

1-Octyne (CAS: 629-05-0), a terminal alkyne with the molecular formula C8H14 and a molecular weight of 110.20 g/mol, is a versatile organic building block. Characterised by its C≡CH functional group, it serves as a key intermediate in various chemical syntheses. Its properties make it useful in research settings, including as a mechanism-based inhibitor in biochemical studies.

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1-Octyne (CH3(CH2)5C≡CH) — chemical structure, CAS 629-05-0; Chemistry, fine chemical supplied by Tech Serve Solutions
AlkynesBuilding BlocksChemical SynthesisOrganic Building BlocksTerminal
01 /Applications

Chemical Synthesis

1-Octyne is a valuable terminal alkyne utilised as a foundational building block in organic synthesis. Its triple bond readily participates in a variety of addition and coupling reactions, enabling the construction of more complex molecular architectures.

Biochemical Research

This compound has been employed as a mechanism-based inhibitor in studies involving enzymes such as AlkB, a nonheme di-iron alkane monooxygenase. This application highlights its utility in probing enzymatic mechanisms.

Organic Building Block

As a linear C8 alkyne, 1-Octyne functions as a fundamental organic building block for introducing an eight-carbon chain with terminal unsaturation into target molecules.

02 /Properties
Molecular weight110.20
Linear formulaCH3(CH2)5C≡CH
Assay97%
Boiling point127-128 °C(lit.)
Density0.747 g/mL at 25 °C(lit.)
Refractive indexn20/D 1.416(lit.)
Vapour pressure37.7 mmHg (37.7 °C)
Melting point−80 °C(lit.)
Impurities tested≤3% 1-bromohexane
Application1-Octyne was used as a mechanism-based inhibitor of AlkB (nonheme di-iron alkane monooxygenase)1.
03 /Safety & handling
GHS hazard pictogram: Flammable (GHS02)
Flammable
GHS hazard pictogram: Health hazard (GHS08)
Health hazard
Danger

Hazard statements

  • H225Highly flammable liquid and vapour
  • H304May be fatal if swallowed and enters airways

Precautionary statements

  • P210Keep away from heat, sparks and open flames. No smoking
  • P301IF SWALLOWED
  • P331Do NOT induce vomiting
Protective equipmentEyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
Flash point16 °C / 60.8 °F
Transport (UN / ADR)UN 3295BF 3 / PGII
Water hazard class (WGK, DE)3
Hazard codes (EU)F,Xn
Risk statements (R)11-65
Safety statements (S)16-62

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

04 /Identifiers & registry
CAS number
629-05-0
MDL number
MFCD00009546
PubChem substance
24854678
Beilstein registry
1734494
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 1-Octyne used for?

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1-Octyne is primarily used as an organic building block in chemical synthesis and for biochemical research, including as a mechanism-based inhibitor of enzymes like AlkB.

What is the CAS number and formula for 1-Octyne?

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The CAS number for 1-Octyne is 629-05-0, and its linear formula is CH3(CH2)5C≡CH.

What grade and purity does Tech Serve Solutions supply?

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Tech Serve Solutions supplies 1-Octyne with a minimum assay of 97%. This product is intended for research and technical applications; TSS does not represent it as USP, BP, or EP grade.

How should 1-Octyne be handled safely?

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1-Octyne is a highly flammable liquid and vapour (Flash Point: 16 °C) and may be fatal if swallowed and enters airways (H225, H304). Handling requires appropriate personal protective equipment including eyeshields, gloves, and suitable respiratory protection. Store away from ignition sources in a well-ventilated area (P210).

How is 1-Octyne packed, shipped, and exported?

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1-Octyne is shipped internationally by TSS according to stringent regulations for hazardous materials, including UN 3295 classification. Packaging is designed to ensure product integrity and safety during transit.

How can I request a sample or quote for 1-Octyne?

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To request a sample or a quotation for 1-Octyne, please contact our sales team via the website or by telephone, providing your specific requirements.

Need 1-Octyne in a specific grade or volume?