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CAS No.: | 32556-70-0 |
---|---|
Name: | (R)-(+)-1-OCTYN-3-OL |
Article Data: | 15 |
Molecular Structure: | |
Formula: | C8H14O |
Molecular Weight: | 126.199 |
Synonyms: | (R)-Oct-1-yn-3-ol;(3R)-1-Octyn-3-ol;(3R)-Oct-1-yn-3-ol; |
EINECS: | -0 |
Density: | 0.887 g/cm3 |
Melting Point: | -39°C (estimate) |
Boiling Point: | 169.6 °C at 760 mmHg |
Flash Point: | 63.9 °C |
Appearance: | clear colorless to light yellow liquid |
Hazard Symbols: | Xn |
Risk Codes: | 20/21/22 |
Safety: | 27-36/37/39-45 |
Transport Information: | UN 2810 |
PSA: | 20.23000 |
LogP: | 1.56080 |
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The 1-Octyn-3-ol, (3R)-, with the CAS registry number 32556-70-0, is also known as (R)-Oct-1-yn-3-ol. It belongs to the product categories of Alcohols; Chiral Building Blocks; Organic Building Blocks. This chemical's molecular formula is C8H14O and molecular weight is 126.2. What's more, its systematic name is (3R)-oct-1-yn-3-ol. It should be sealed and stored in a cool, ventilated and dry place. What's more, it should be ensured that the workshop is well ventilated or equipped with exhaust devices.
Physical properties of 1-Octyn-3-ol, (3R)- are: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 9.23 Å2; (7)Index of Refraction: 1.452; (8)Molar Refractivity: 38.43 cm3; (9)Molar Volume: 142.2 cm3; (10)Polarizability: 15.23×10-24cm3; (11)Surface Tension: 34 dyne/cm; (12)Density: 0.887 g/cm3; (13)Flash Point: 63.9 °C; (14)Enthalpy of Vaporization: 47.27 kJ/mol; (15)Boiling Point: 169.6 °C at 760 mmHg; (16)Vapour Pressure: 0.496 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. You should take off immediately all contaminated clothing. When using it, you need wear suitable protective clothing, gloves and eye/face protection. In case of accident or if you feel unwell, you need seek medical advice immediately (show the label where possible).
You can still convert the following datas into molecular structure:
(1)SMILES: C#C[C@H](O)CCCCC
(2)InChI: InChI=1S/C8H14O/c1-3-5-6-7-8(9)4-2/h2,8-9H,3,5-7H2,1H3/t8-/m0/s1
(3)InChIKey: VUGRNZHKYVHZSN-QMMMGPOBSA-N