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| CAS No.: | 1454-85-9 |
|---|---|
| Name: | 1-Heptadecanol |
| Article Data: | 27 |
| Molecular Structure: | |
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| Formula: | C17H36O |
| Molecular Weight: | 256.472 |
| Synonyms: | Heptadecylalcohol;NSC 3921;n-Heptadecanol;n-Heptadecyl alcohol; |
| EINECS: | 267-008-6 |
| Density: | 0.836 g/cm3 |
| Melting Point: | 51-55 °C(lit.) |
| Boiling Point: | 308 °C at 760 mmHg |
| Flash Point: | >230 °F |
| Appearance: | white powder |
| Risk Codes: | 36/38 |
| Safety: | 22-24/25 |
| PSA: | 20.23000 |
| LogP: | 5.85010 |
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Specification
The 1-Heptadecanol, with the CAS registry number 1454-85-9, is also known as 1-Heptadecyl alcohol. It belongs to the product categories of 1-Alkanols; Biochemistry; Higher Fatty Acids & Higher Alcohols; Monofunctional & alpha,omega-Bifunctional Alkanes; Monofunctional Alkanes; Saturated Higher Alcohols. Its EINECS registry number is 215-932-5. This chemical's molecular formula is C17H36O and molecular weight is 256.46714. Its IUPAC name is called heptadecan-1-ol. What's more, the product should be sealed and stored in cool, dry and well-ventilated place.
Physical properties of 1-Heptadecanol: (1)ACD/LogP: 7.78; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.78; (4)ACD/LogD (pH 7.4): 7.78; (5)ACD/BCF (pH 5.5): 484058.56; (6)ACD/BCF (pH 7.4): 484058.56; (7)ACD/KOC (pH 5.5): 408151.81; (8)ACD/KOC (pH 7.4): 408151.81; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 16; (12)Index of Refraction: 1.449; (13)Molar Refractivity: 82.34 cm3; (14)Molar Volume: 306.6 cm3; (15)Surface Tension: 31.2 dyne/cm; (16)Density: 0.836 g/cm3; (17)Flash Point: 136.4 °C; (18)Enthalpy of Vaporization: 63.62 kJ/mol; (19)Boiling Point: 308 °C at 760 mmHg; (20)Vapour Pressure: 6.42E-05 mmHg at 25°C.
Uses of 1-Heptadecanol: it can be used to produce 1-bromo-heptadecane. This reaction will need reagent hydrobromic acid.
When you are using this chemical, please be cautious about it. It is irritating to eyes and skin. In addition, it is toxic by inhalation and toxic in contact with skin and if swallowed.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCCCCO
(2)InChI: InChI=1S/C17H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18/h18H,2-17H2,1H3
(3)InChIKey: GOQYKNQRPGWPLP-UHFFFAOYSA-N