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| CAS No.: | 7383-19-9 |
|---|---|
| Name: | 1-Heptyn-3-ol |
| Article Data: | 36 |
| Molecular Structure: | |
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| Formula: | C7H12O |
| Molecular Weight: | 112.172 |
| Synonyms: | (3RS)-1-Heptyn-3-ol;(RS)-1-Heptyn-3-ol;3-Hydroxy-1-heptyne;Butylethynylcarbinol; |
| Density: | 0.892 g/cm3 |
| Melting Point: | -20.62°C (estimate) |
| Boiling Point: | 154.8 °C at 760 mmHg |
| Flash Point: | 50.8 °C |
| Solubility: | Slightly soluble in water. |
| Appearance: | clear colorless liquid |
| Hazard Symbols: |
 
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| Risk Codes: | 22 |
| Safety: | 61 |
| Transport Information: | UN 1993 3/PG 3 |
| PSA: | 20.23000 |
| LogP: | 1.17070 |
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Specification
The 1-Heptyn-3-ol with its cas register number is 7383-19-9. It also can be called as 3-Hydroxy-1-heptyne and the IUPAC Name about this chemical is hept-1-yn-3-ol. It belongs to the following product categories, such as Acetylenes, Acetylenic Alcohols & Their Derivatives and so on.
Physical properties about 1-Heptyn-3-ol are: (1)ACD/LogP: 1.56; (2)ACD/LogD (pH 5.5): 1.56; (3)ACD/LogD (pH 7.4): 1.56; (4)ACD/BCF (pH 5.5): 9.04; (5)ACD/BCF (pH 7.4): 9.04; (6)ACD/KOC (pH 5.5): 168.23; (7)ACD/KOC (pH 7.4): 168.23; (8)#H bond acceptors: 1; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 9.23Å2; (12)Index of Refraction: 1.45; (13)Molar Refractivity: 33.8 cm3; (14)Molar Volume: 125.7 cm3; (15)Polarizability: 13.39x10-24cm3; (16)Surface Tension: 34 dyne/cm; (17)Enthalpy of Vaporization: 45.6 kJ/mol; (18)Vapour Pressure: 1.14 mmHg at 25°C.
Uses of 1-Heptyn-3-ol: it can be used to produce hept-1-yn-3-one. It will need reagent CrO3.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful if swallowed. When you are using it, please avoid release to the environment and refer to special instructions / safety data sheets.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCC(C#C)O
(2)InChI: InChI=1S/C7H12O/c1-3-5-6-7(8)4-2/h2,7-8H,3,5-6H2,1H3
(3)InChIKey: SHSFXAVQBIEYMK-UHFFFAOYSA-N