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| CAS No.: | 107-54-0 |
|---|---|
| Name: | 1-Hexyn-3-ol,3,5-dimethyl- |
| Article Data: | 22 |
| Cas Database | |
| Molecular Structure: | |
|
|
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| Formula: | C8H14O |
| Molecular Weight: | 126.199 |
| Synonyms: | 3,5-Dimethylhexyn-3-ol;NSC 978;Surfynol 61; |
| EINECS: | 203-500-9 |
| Density: | 0.887 g/cm3 |
| Melting Point: | -39°C (estimate) |
| Boiling Point: | 152.576 °C at 760 mmHg |
| Flash Point: | 44.444 °C |
| Solubility: | N/A |
| Appearance: | clear colorless to yellowish liquid |
| Hazard Symbols: |
 T
|
| Risk Codes: | 10-23/24/25-36 |
| Safety: | 16-26-36/37/39-45 |
| Transport Information: | UN 1986 3 |
| PSA: | 20.23000 |
| LogP: | 1.41670 |
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IUPAC Name: 3,5-Dimethylhex-1-yn-3-ol
Following is the structure of 1-Hexyn-3-ol,3,5-dimethyl- (CAS NO.107-54-0):
Empirical Formula: C8H14O
Molecular Weight: 126.1962 g/mol
EINECS: 203-500-9
Index of Refraction: 1.452
Molar Refractivity: 38.39 cm3
Molar Volume: 142.2 cm3
Density: 0.886 g/cm3
Flash Point: 44.4 °C
Surface Tension: 32 dyne/cm
Storage temp.: Flammables area
Enthalpy of Vaporization: 45.36 kJ/mol
Boiling Point: 152.6 °C at 760 mmHg
Vapour Pressure: 1.29 mmHg at 25 °C
Appearance of 1-Hexyn-3-ol,3,5-dimethyl- (CAS NO.107-54-0): clear colorless to yellowish liquid
Product Categories of 1-Hexyn-3-ol,3,5-dimethyl- (CAS NO.107-54-0): Acetylenes; Acetylenic Alcohols & Their Derivatives; Alkynes; Organic Building Blocks; Terminal
Canonical SMILES: CC(C)CC(C)(C#C)O
InChI: InChI=1S/C8H14O/c1-5-8(4,9)6-7(2)3/h1,7,9H,6H2,2-4H3
InChIKey: NECRQCBKTGZNMH-UHFFFAOYSA-N
1-Hexyn-3-ol,3,5-dimethyl- (CAS NO.107-54-0) hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65. And the toxicological properties have not been fully investigated.
Hazard Codes: 
T
Risk Statements: 10-23/24/25-36
R10:Flammable.
R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
R36:Irritating to eyes.
Safety Statements: 16-26-36/37/39-45
S16:Keep away from sources of ignition.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 1986 3/PG 3
WGK Germany: 3
HazardClass: 3.2
PackingGroup: III
1-Hexyn-3-ol,3,5-dimethyl- , its cas register number is 107-54-0. It also can be called 3,5-Dimethyl-1-hexyn-3-ol ; Surfynol (VAN) ; Surfynol 61 ; and 3,5-Dimethylhex-1-yn-3-ol .
1-Hexyn-3-ol,3,5-dimethyl- (CAS NO.107-54-0) is hazardous, so the first aid measures and others should be known. Such as: When on the skin: Get medical aid. Flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Or in the eyes: Flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid. While, it's inhaled: Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Get medical aid. Then you have the ingesting of the product : Wash mouth out with water, and get medical aid immediately.
1-Hexyn-3-ol,3,5-dimethyl- (CAS NO.107-54-0) could be stable under normal temperatures and pressures. It should avoid the condition like incompatible materials, ignition sources. It is not compatible with strong oxidizing agents, acid chlorides, acid anhydrides. And also prevent it to broken down into hazardous decomposition products: carbon monoxide, carbon dioxide. However, its hazardous polymerization has not been reported. In addition, it should keep away from sources of ignition. It should be stored in a cool, dry place, or stored in a tightly closed container.
