- 3,5-DIMETHYL-1-HEXYN-3-OL
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- $8.00 / 1KG
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2025-09-25
- CAS:107-54-0
- Min. Order: 1KG
- Purity: 99%
- Supply Ability: g-kg-tons, free sample is available
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| | 3,5-DIMETHYL-1-HEXYN-3-OL Basic information |
| | 3,5-DIMETHYL-1-HEXYN-3-OL Chemical Properties |
| Melting point | -39°C (estimate) | | Boiling point | 150-151 °C (lit.) | | density | 0.859 g/mL at 25 °C (lit.) | | vapor density | 4.34 (vs air) | | vapor pressure | 4.5 mm Hg ( 20 °C) | | refractive index | n20/D 1.434(lit.) | | Fp | 112 °F | | storage temp. | Flammables area | | solubility | soluble in Chloroform, Ethyl Acetate | | form | clear liquid | | pka | 13.34±0.29(Predicted) | | color | Colorless to Light yellow to Light orange | | Specific Gravity | 0.854 (20/4℃) | | Odor | camphor-like odor | | Water Solubility | 11.6g/L at 20℃ | | InChI | 1S/C8H14O/c1-5-8(4,9)6-7(2)3/h1,7,9H,6H2,2-4H3 | | InChIKey | NECRQCBKTGZNMH-UHFFFAOYSA-N | | SMILES | CC(C)CC(C)(O)C#C | | LogP | 1.85 | | CAS DataBase Reference | 107-54-0(CAS DataBase Reference) | | EPA Substance Registry System | 3,5-Dimethyl-1-hexyn-3-ol (107-54-0) |
| Hazard Codes | T | | Risk Statements | 10-23/24/25-36 | | Safety Statements | 16-26-36/37/39-45 | | RIDADR | UN 1986 3/PG 3 | | WGK Germany | 3 | | TSCA | TSCA listed | | HazardClass | 3.2 | | PackingGroup | III | | HS Code | 29052900 | | Storage Class | 3 - Flammable liquids | | Hazard Classifications | Acute Tox. 3 Dermal
Acute Tox. 3 Inhalation
Acute Tox. 3 Oral
Eye Irrit. 2
Flam. Liq. 3 |
| | 3,5-DIMETHYL-1-HEXYN-3-OL Usage And Synthesis |
| Chemical Properties | clear colorless to yellowish liquid | | Uses | 3,5-Dimethyl-1-hexyn-3-ol may be used to synthesize:
- 3,5-Dimethyl-1-phenyl-1-hexen-3-ol via one-pot palladium-mediated hydrostannylation/Stille cross-coupling.
- 3,5-dimethyl-1-hexyn-3-acetate via esterification with acetic anhydride in a neutral ionic liquid (1-butyl-3-methylimidazolium tetrafluoroborate).
- 3,5-Dimethyl-3-hydroxy-1-hexen-1-yl benzoate via anti-Markovnikov addition of benzoic acid.
| | General Description | Bimolecular rate constant for the reaction of the hydroxyl radical (OH) with 3,5-dimethyl-1-hexyn-3-ol has been been measured using the relative rate technique. Reaction of CO2 with 3,5-dimethyl-1-hexyn-3-ol catalyzed by CuCl in different ionic liquids and solvents has been investigated. | | Toxics Screening Level | The ITSL for 3,5-dimethyl-1-hexyn-3-o has been changed from 0.04 μg/m3 to 0.1 μg/m3 based on an annual averaging time. |
| | 3,5-DIMETHYL-1-HEXYN-3-OL Preparation Products And Raw materials |
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