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| CAS No.: | 31333-13-8 |
|---|---|
| Name: | 3-Nonyn-1-ol |
| Article Data: | 25 |
| Molecular Structure: | |
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| Formula: | C9H16O |
| Molecular Weight: | 140.225 |
| Synonyms: | Non-3-yn-1-ol; |
| EINECS: | 250-573-8 |
| Density: | 0.888 |
| Melting Point: | -16°C (estimate) |
| Boiling Point: | 111-112 ºC (20 mmHg) |
| Flash Point: | 94 ºC |
| Appearance: | clear light yellow liquid. |
| Hazard Symbols: |
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| Risk Codes: | R22;R36/37/38 |
| Safety: | S26;S37/39 |
| PSA: | 20.23000 |
| LogP: | 1.95250 |
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Specification
The 3-Nonyn-1-ol with cas registry number of 31333-13-8, belongs to the following product categories: (1)Acetylenes; (2)Acetylenic Alcohols & Their Derivatives. And its systematic name and IUPAC name are the same, which is non-3-yn-1-ol. Besides this, it is also named (2-Hydroxyethyl)pentylacetylene.
Physical properties about this chemical are: (1)ACD/LogP: 2.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.58; (4)ACD/LogD (pH 7.4): 2.58; (5)ACD/BCF (pH 5.5): 53.88; (6)ACD/BCF (pH 7.4): 53.88; (7)ACD/KOC (pH 5.5): 603.87; (8)ACD/KOC (pH 7.4): 603.87; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 43.28 cm3; (15)Molar Volume: 157.9 cm3; (16)Polarizability: 17.15×10-24cm3; (17)Surface Tension: 35.3 dyne/cm; (18)Enthalpy of Vaporization: 51.46 kJ/mol; (19)Vapour Pressure: 0.0571 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
The 3-Nonyn-1-ol irritates to eyes, respiratory system and skin. And it is harmful if swallowed. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)SMILES: C(#CCCO)CCCCC;
(2)InChI: InChI=1/C9H16O/c1-2-3-4-5-6-7-8-9-10/h10H,2-5,8-9H2,1H3;
(3)InChIKey: TZZVRLFUTNYDEG-UHFFFAOYAN;
(4)Std. InChI: InChI=1S/C9H16O/c1-2-3-4-5-6-7-8-9-10/h10H,2-5,8-9H2,1H3;
(5)Std. InChIKey: TZZVRLFUTNYDEG-UHFFFAOYSA-N