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| CAS No.: | 2051-31-2 |
|---|---|
| Name: | 4-Decanol |
| Article Data: | 32 |
| Molecular Structure: | |
|
|
|
| Formula: | C10H22O |
| Molecular Weight: | 158.284 |
| Synonyms: | 1-Propylheptylalcohol;NSC 2637;dl-Decan-4-ol; |
| EINECS: | 218-117-2 |
| Density: | 0.826 g/cm3 |
| Melting Point: | -11.4°C |
| Boiling Point: | 213.4 °C at 760 mmHg |
| Flash Point: | 82.2 °C |
| Appearance: | clear colourless liquid |
| Hazard Symbols: |
 Xn,  Xi
|
| Risk Codes: | 36/37/38-20/21/22 |
| Safety: | 24/25-37/39-36-26 |
| PSA: | 20.23000 |
| LogP: | 3.11780 |
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Specification
The CAS register number of 4-Decanol is 2051-31-2. It also can be called as 1-Propylheptylalcohol and the IUPAC name about this chemical is decan-4-ol. The molecular formula about this chemical is C10H22O and the molecular weight is 158.28. If you want to store this chemical, please keep it in a closed container and store it in a cool, dry place. When you are using it, please avoid contact with oxides and ensure that workplace has good ventilation or exhaust.
Physical properties about 4-Decanol are: (1)ACD/LogP: 3.88; (2)#H bond acceptors: 1; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 8; (5)Polar Surface Area: 9.23Å2; (6)Index of Refraction: 1.434; (7)Molar Refractivity: 49.87 cm3; (8)Molar Volume: 191.4 cm3; (9)Polarizability: 19.77x10-24cm3; (10)Surface Tension: 28.9 dyne/cm; (11)Enthalpy of Vaporization: 52.3 kJ/mol; (12)Boiling Point: 213.4 °C at 760 mmHg; (13)Vapour Pressure: 0.0365 mmHg at 25°C.
Uses of 4-Decanol: it can be used to produce decane at temperature of 80 ℃. This reaction will need reagent Ph2SiHCl, InCl3 and solvent 1,2-dichloro-ethane with reaction time of 4 hours. The yield is about 74%.
When you are using this chemical, please be cautious about it as the following:
This chemical is harmful by inhalation, in contact with skin and if swallowed and it is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing, gloves and eye/face protection, you also need avoid contact with skin and eyes. 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: O[C@@H](CCC)CCCCCC
(2)InChI: InChI=1/C10H22O/c1-3-5-6-7-9-10(11)8-4-2/h10-11H,3-9H2,1-2H3/t10-/m0/s1
(3)InChIKey: DTDMYWXTWWFLGJ-JTQLQIEIBV
(4)Std. InChI: InChI=1S/C10H22O/c1-3-5-6-7-9-10(11)8-4-2/h10-11H,3-9H2,1-2H3/t10-/m0/s1
(5)Std. InChIKey: DTDMYWXTWWFLGJ-JTQLQIEISA-N