1-Octyne
- CAS No.
- 629-05-0
- Chemical Name:
- 1-Octyne
- Synonyms
- oct-1-yne;1-0ctyne;1-0ctin;1-OCTYNE;Octyne-1;1-Acetyne;caprylidene;1-Octyne>1-SiM alkyne;1-OCTYNE 98%
- CBNumber:
- CB8778026
- Molecular Formula:
- C8H14
- Molecular Weight:
- 110.2
- MDL Number:
- MFCD00009546
- MOL File:
- 629-05-0.mol
- MSDS File:
- SDS
| Product description | Number | Pack Size | Price |
| 1-Octyne 97% | 244465 | 25g | $78.3 |
| 1-Octyne 97% | 244465 | 100g | $195 |
| 1-Octyne >95.0%(GC) | O0050 | 25mL | $63 |
| 1-Octyne >95.0%(GC) | O0050 | 100mL | $213 |
| Oct-1-yne 98+% 98% | 241087 | 5ml | $156 |
| More product size | |||
| Melting point | -80 °C (lit.) |
|---|---|
| Boiling point | 127-128 °C (lit.) |
| Density | 0.747 g/mL at 25 °C (lit.) |
| vapor pressure | 37.7 mm Hg ( 37.7 °C) |
| refractive index |
n |
| Flash point | 64 °F |
| storage temp. | Flammables area |
| solubility | 0.024g/l |
| form | Liquid |
| Specific Gravity | 0.746 |
| color | Clear colorless to yellow |
| explosive limit | 0.8%(V) |
| Water Solubility | Miscible with alcohol, ether and other organic solvents. Immiscible with water. |
| BRN | 1734494 |
| Henry's Law Constant | 1.2×10-4 mol/(m3Pa) at 25℃, Brockbank (2013) |
| InChI | 1S/C8H14/c1-3-5-7-8-6-4-2/h1H,4-8H2,2H3 |
| InChIKey | UMIPWJGWASORKV-UHFFFAOYSA-N |
| SMILES | CCCCCCC#C |
| LogP | 3.717 (est) |
| CAS DataBase Reference | 629-05-0(CAS DataBase Reference) |
| EWG's Food Scores | 1 |
| FDA UNII | 7S3FMU8W67 |
| NIST Chemistry Reference | 1-Octyne(629-05-0) |
| EPA Substance Registry System | 1-Octyne (629-05-0) |
| UNSPSC Code | 12352100 |
| NACRES | NA.22 |
SAFETY
Risk and Safety Statements
| Symbol(GHS) |   GHS02,GHS08 |
|||||||||
|---|---|---|---|---|---|---|---|---|---|---|
| Signal word | Danger | |||||||||
| Hazard statements | H304-H225 | |||||||||
| Precautionary statements | P501-P240-P210-P233-P243-P241-P242-P280-P370+P378-P331-P303+P361+P353-P301+P310-P403+P235-P405 | |||||||||
| PPE | Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter | |||||||||
| Hazard Codes | F,Xn,Xi | |||||||||
| Risk Statements | 11-65-36/37/38 | |||||||||
| Safety Statements | 16-62-33-26 | |||||||||
| RIDADR | UN 3295 3/PG 2 | |||||||||
| WGK Germany | 3 | |||||||||
| RTECS | RI2655000 | |||||||||
| TSCA | TSCA listed | |||||||||
| HazardClass | 3 | |||||||||
| PackingGroup | II | |||||||||
| HS Code | 29012980 | |||||||||
| Storage Class | 3 - Flammable liquids | |||||||||
| Hazard Classifications | Asp. Tox. 1 Flam. Liq. 2 |
|||||||||
| Toxicity | dns-ham:lvr 100 mmol/L CRNGDP 6,1201,85 | |||||||||
| REACH Registrations | Active | |||||||||
| Limited Quantities | 1.0 L (0.3 gallon) (liquid) | |||||||||
| Excepted Quantities | Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml) | |||||||||
| NFPA 704 |
|
1-Octyne price More Price(39)
| Manufacturer | Product number | Product description | CAS number | Packaging | Price | Updated | Buy |
|---|---|---|---|---|---|---|---|
| Sigma-Aldrich | 244465 | 1-Octyne 97% | 629-05-0 | 25g | $78.3 | 2026-04-30 | Buy |
| Sigma-Aldrich | 244465 | 1-Octyne 97% | 629-05-0 | 100g | $195 | 2026-04-30 | Buy |
| TCI Chemical | O0050 | 1-Octyne >95.0%(GC) | 629-05-0 | 25mL | $63 | 2026-04-30 | Buy |
| TCI Chemical | O0050 | 1-Octyne >95.0%(GC) | 629-05-0 | 100mL | $213 | 2026-04-30 | Buy |
| Usbiological | 241087 | Oct-1-yne 98+% 98% | 629-05-0 | 5ml | $156 | 2026-06-03 | Buy |
1-Octyne Chemical Properties,Uses,Production
Odor
1-Octyne's volatility puts it into a class of "lifting" materials, but its odor type is not exactly desirable. It is ethereal and sweet, of very poor tenacity, warm and remotely resembling the odor of Myrcene in its warm spiciness.
Chemical Properties
CLEAR COLOURLESS TO YELLOW LIQUID
Uses
1-Octyne is widely used in organic reactions such as halogenation, hydration, oxidative cleavage, hydrogenation, hydrohalogenation, nitrile formation, polymerization and substitution reactions. It is used a precursor for the preparation of monohalogen substituted akenes or dihalogen substituted alkanes on treated with hydrogen halides.
Safety Profile
Mutation data reported. Whenheated to decomposition it emits acrid smoke andirritating vapors.
Synthesis
The two synthesis methods of 1-Octyne: 1) from Methyl hexyl ketone and Phosphorous pentachloride followed by hydrolysis and treatment with Sodamide. 2)by Bromination of n-Octene (commercially available) followed by debromination of the Dibromo octane with dry Potassium hydroxide in mineral oil.
Purification Methods
Distil I-octyne from NaBH4 to remove peroxides. Fractionate it through a 10inch Widmer column (p 11) at 125-126o/759mm [Sletzinger & Dawson J Org Chem 14 853 1949.] [Beilstein 1 III 1005, 1 IV 1034.]
1-Octyne Preparation Products And Raw materials
Raw materials
Preparation Products
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| Supplier | Tel | Country | ProdList | Advantage | |
|---|---|---|---|---|---|
| Capot Chemical Co.,Ltd. | +86-（0）57185586718 +86-13336195806 | sales@capot.com | China | 29640 | 60 |
| CONIER CHEM AND PHARMA LIMITED | +8618523575427 | sales@conier.com | China | 49979 | 58 |
| career henan chemical co | +86-0371-86658258 +8613203830695 | factory@coreychem.com | China | 29792 | 58 |
| SIMAGCHEM CORP | +86-5922680277 +86-13806087780 | sale@simagchem.com | China | 17346 | 58 |
| Hefei TNJ Chemical Industry Co.,Ltd. | +86-0551-65418671 +8618949823763 | sales@tnjchem.com | China | 34563 | 58 |
| sgtlifesciences pvt ltd | +8617013299288 | dj@sgtlifesciences.com | China | 12373 | 58 |
| Hangzhou MolCore BioPharmatech Co.,Ltd. | +86-057181025280; +8617767106207 | sales@molcore.com | China | 49734 | 58 |
| Hebei Chuanghai Biotechnology Co., Ltd | +8615531151365 | mina@chuanghaibio.com | China | 18126 | 58 |
| HANGZHOU LEAP CHEM CO., LTD. | +86-571-87711850 | market18@leapchem.com | China | 43333 | 58 |
| Shanghai Acmec Biochemical Technology Co., Ltd. | +86-18621343501; +undefined18621343501 | product@acmec-e.com | China | 33324 | 58 |
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