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| CAS No.: | 68274-97-5 |
|---|---|
| Name: | 5-Decyn-1-ol |
| Article Data: | 13 |
| Molecular Structure: | |
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| Formula: | C10H18O |
| Molecular Weight: | 154.252 |
| Synonyms: | 5-Decyne-1-ol; |
| EINECS: | 269-529-4 |
| Density: | 0.884 g/cm3 |
| Melting Point: | 1.9°C (estimate) |
| Boiling Point: | 233.9 °C at 760 mmHg |
| Flash Point: | 98.9 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 20.23000 |
| LogP: | 2.34260 |
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- Total:6 Page 1 of 1 1
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Specification
The 5-Decyn-1-ol, with the CAS registry number 68274-97-5, is also known as 5-Decyne-1-ol. It belongs to the product categories of Alkynes; Internal; Organic Building Blocks. Its EINECS registry number is 269-529-4. This chemical's molecular formula is C10H18O and molecular weight is 154.2493. What's more, its IUPAC name is Dec-5-yn-1-ol. In addition, it must be stored in airtight containers and placed in a dry, cool place. Meanwhile, it should avoid contact with oxidant.
Physical properties about 5-Decyn-1-ol are: (1)ACD/LogP: 2.81; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.81; (4)ACD/LogD (pH 7.4): 2.81; (5)ACD/BCF (pH 5.5): 80.49; (6)ACD/BCF (pH 7.4): 80.49; (7)ACD/KOC (pH 5.5): 804.9; (8)ACD/KOC (pH 7.4): 804.9; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.461; (14)Molar Refractivity: 47.91 cm3; (15)Molar Volume: 174.4 cm3; (16)Polarizability: 18.99×10-24 cm3; (17)Surface Tension: 35.2 dyne/cm; (18)Density: 0.884 g/cm3; (19)Flash Point: 98.9 °C; (20)Enthalpy of Vaporization: 54.71 kJ/mol; (21)Boiling Point: 233.9 °C at 760 mmHg; (22)Vapour Pressure: 0.01 mmHg at 25 °C.
Preparation of 5-Decyn-1-ol: this chemical is prepared by 1-(1-Butoxyethoxy)dec-5-yne at ambient temperature. The reaction needs reagent cation-exchange resin KU-2-8 H(1+) form and solvent Methanol. The reaction time is 5 hours. The yield is about 92 %.
Uses of 5-Decyn-1-ol: it is used to produce other chemicals. For example, it is used to produce Dec-5-ynal. This reaction needs reagents Oxalyl chloride and Et3N. Meanwhile, it needs solvent Dimethylsulfoxide. The yield is about 90 %.
When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. In addition, this chemical may cause inflammation to the skin or other mucous membranes. During using it, wear suitable protective clothing. In case of 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(#CCCCCO)CCCC
(2) InChI: InChI=1/C10H18O/c1-2-3-4-5-6-7-8-9-10-11/h11H,2-4,7-10H2,1H3
(3) InChIKey: RNTNGQCWAKHVKO-UHFFFAOYAT