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Cas Database |
| Name |
Octadecanal |
EINECS | 211-346-9 |
| CAS No. | 638-66-4 | Density | 0.831g/cm3 |
| PSA | 17.07000 | LogP | 6.44680 |
| Solubility | N/A | Melting Point |
43.0 to 47.0 °C |
| Formula | C18H36 O | Boiling Point | 321.3°C at 760 mmHg |
| Molecular Weight | 268.483 | Flash Point | 154.5°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Stearaldehyde(6CI,7CI,8CI);1-Octadecanal;1-Oxooctadecane;NSC 68100;Octadecanaldehyde;Octadecyl aldehyde;Stearyl aldehyde;n-Octadecanal; |
Article Data | 134 |
Octadecanal Synthetic route
- 638-66-4
n-Octadecanal
| Conditions | Yield |
|---|---|
| With aq. acid for 1h; Ambient temperature; | 100% |
| Conditions | Yield |
|---|---|
| With 9-borabicyclo[3.3.1]nonane dimer; lithium dihydrido borata-bicyclo[3.3.0]nonane In tetrahydrofuran for 1h; Ambient temperature; | 99% |
| With thexylchloroborane-Me2SO4 In dichloromethane for 0.25h; Ambient temperature; | 98% |
| With thexylbromoborane dimethyl sulfide complex In carbon disulfide; dichloromethane at -20 - 20℃; for 1h; | 92% |
| Conditions | Yield |
|---|---|
| With 9-borabicyclo[3.3.1]nonane dimer In tetrahydrofuran for 1h; Ambient temperature; | 99% |
| Conditions | Yield |
|---|---|
| With 9-borabicyclo[3.3.1]nonane dimer In tetrahydrofuran for 1h; Ambient temperature; | 99% |
| Conditions | Yield |
|---|---|
| With pyridinium chlorochromate In dichloromethane at 20℃; for 6h; Molecular sieve; Inert atmosphere; | 98% |
| With sodium bromite; 4-benzoxy-2,2,6,6-tetramethylpiperidine-N-oxyl; sodium hydrogencarbonate In dichloromethane; water for 6h; Ambient temperature; | 96% |
| With pyridine; oxygen; palladium diacetate In toluene at 80℃; for 2h; | 95% |
| Conditions | Yield |
|---|---|
| With diisobutylaluminium hydride In dichloromethane; toluene at -70℃; for 3h; Inert atmosphere; | 95% |
| With diisobutylaluminium hydride In toluene at -70℃; for 0.25h; | 30 % Spectr. |
| Conditions | Yield |
|---|---|
| With ammonium hydroxide; formic acid In diethyl ether; chloroform for 0.333333h; Ambient temperature; | 94% |
| With Amberlyst A-26 in the BH4(1-) form in column at 4-5 ml In hexane | 92.96% |
| With Pd-BaSO4; hydrogen |
| Conditions | Yield |
|---|---|
| With piperazine; 9-(2-chlorophenyl)acridine; tetrakis(acetonitrile)copper(I)tetrafluoroborate In dichloromethane at 25 - 27℃; for 14h; Reagent/catalyst; Solvent; Irradiation; | 87% |
| Conditions | Yield |
|---|---|
| With sodium tris(diethylamino)aluminum hydride In tetrahydrofuran; dodecane at 0℃; for 3h; | 84% |
| Conditions | Yield |
|---|---|
| In tetrahydrofuran at 20℃; for 12h; Yields of byproduct given; | A n/a B 83% |
Octadecanal Specification
Octadecanal, is also named as stearaldehyde; octadecanaldehyde,octadecanal; 1-Octadecanone; Octadecanaldehyde Octadecyl Aldehyde Stearaldehyde Stearyl Aldehyde. With the CAS NO.638-66-4, Octodecanal is a long-chain aldehyde, with the chemical formula C18H36O.
Octadecanal is used by several species of insect as a pheromone.
Physical properties about Octadecanal are: (1)ACD/LogP: 8.046; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.05; (4)ACD/LogD (pH 7.4): 8.05; (5)ACD/BCF (pH 5.5): 767778.20; (6)ACD/BCF (pH 7.4): 767778.20; (7)ACD/KOC (pH 5.5): 567834.10; (8)ACD/KOC (pH 7.4): 567834.10; (9)#H bond acceptors: 1; (10)#Freely Rotating Bonds: 16; (11)Index of Refraction: 1.443; (12)Molar Refractivity: 85.627 cm3; (13)Molar Volume: 322.975 cm3; (14)Polarizability: 33.945 10-24cm3; (15)Surface Tension: 30.2040004730225 dyne/cm; (16)Density: 0.831 g/cm3; (17)Flash Point: 154.486 °C; (18)Enthalpy of Vaporization: 56.307 kJ/mol; (19)Boiling Point: 321.317 °C at 760 mmHg
You can still convert the following datas into molecular structure:
(1)InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h18H,2-17H2,1H3;
(2)InChIKey=FWWQKRXKHIRPJY-UHFFFAOYSA-N;
(3)SmilesC(CCCCCCCCC)CCCCCCCC=O
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