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| CAS No.: | 112-88-9 |
|---|---|
| Name: | 1-Octadecene |
| Molecular Structure: | |
|
|
|
| Formula: | C18H36 |
| Molecular Weight: | 252.484 |
| Synonyms: | Octadecylene;alpha-Octadecene;n-1-Octadecene;NSC 66460;a-Octadecene; |
| EINECS: | 204-012-9 |
| Density: | 0.787 g/cm3 |
| Melting Point: | 14-16 °C(lit.) |
| Boiling Point: | 314.382 °C at 760 mmHg |
| Flash Point: | 148.889 °C |
| Solubility: | Miscible with alcohol, acetone and ether. Immiscible with water. |
| Appearance: | Clear colourless to amber liquid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 65 |
| Safety: | 23-24/25 |
| PSA: | 0.00000 |
| LogP: | 7.04380 |
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| Conditions | Yield |
|---|---|
| With polystyrene-supported(catecholato)oxoRe cat. act. by iPrOH; triphenylphosphine In toluene for 6h; Heating; | 97% |
| With 2,4,6-trimethyl-pyridine; bis(cyclopentadienyl)titanium dichloride; manganese; chloro-trimethyl-silane In tetrahydrofuran at 20℃; Inert atmosphere; | 94% |
| Multi-step reaction with 2 steps 1: sodium hydrogen telluride / ethanol / Heating 2: 92 percent / toluene-p-sulphonyl chloride, pyridine View Scheme | |
| With carbon monoxide; C29H32IrN5O; bis(trifluoromethane)sulfonimide lithium In benzene-d6 at 80℃; under 7500.75 Torr; for 24h; Schlenk technique; chemoselective reaction; | 71 %Spectr. |
- 105679-03-6
1-Tellanyl-octadecan-2-ol
- 112-88-9
octadec-1-ene
| Conditions | Yield |
|---|---|
| With pyridine; p-toluenesulfonyl chloride | 92% |
| Conditions | Yield |
|---|---|
| With 2,6-C6H3(CH2NMe2)2MnLiCl2 | 91% |
| Conditions | Yield |
|---|---|
| Stage #1: oleoyl alcohol With n-butyllithium; zirconocene dichloride In diethyl ether; hexane at -50 - 34℃; Stage #2: With hydrogenchloride In diethyl ether; hexane at 20℃; | 72% |
- 1121-30-8
1-hydroxy-2(1H)-pyridinethione
- 37850-75-2
allyl tert-butyl sulfide
A
- 24367-44-0
2-(2-tert-butyldisulfanyl)pyridine
B
- 112-88-9
octadec-1-ene
C
- 89025-53-6
n-pentadecyl-2'-pyridylsulphide
| Conditions | Yield |
|---|---|
| With dmap; n-hexadecanoyl chloride In toluene at 110℃; for 2.5h; | A 11% B 23% C 62% |
- 1121-30-8
1-hydroxy-2(1H)-pyridinethione
- 112-67-4
n-hexadecanoyl chloride
A
- 24367-44-0
2-(2-tert-butyldisulfanyl)pyridine
B
- 112-88-9
octadec-1-ene
C
- 89025-53-6
n-pentadecyl-2'-pyridylsulphide
| Conditions | Yield |
|---|---|
| With dmap; allyl tert-butyl sulfide In toluene at 110℃; for 2.5h; | A 11% B 23% C 62% |
| Conditions | Yield |
|---|---|
| With bis(cyclopentadienyl)titanium dichloride; water; 2,4,6-collidine hydrochloride In tetrahydrofuran at 20℃; for 24h; Inert atmosphere; | A 30% B 60% |
| With bis(cyclopentadienyl)titanium dichloride; manganese; water In tetrahydrofuran at 20℃; for 24h; Inert atmosphere; | A 42% B 20% |
- 3112-87-6
1-methyl-4-(prop-2-ene-1-sulfonyl)benzene
- 112-67-4
n-hexadecanoyl chloride
A
- 112-88-9
octadec-1-ene
B
- 89025-53-6
n-pentadecyl-2'-pyridylsulphide
| Conditions | Yield |
|---|---|
| With 1-hydroxy-2(1H)-pyridinethione; dmap In toluene at 110℃; for 2h; | A 21% B 55% |
- 14370-82-2
allyl phenyl selenide
- 112-67-4
n-hexadecanoyl chloride
A
- 112-88-9
octadec-1-ene
B
- 89025-53-6
n-pentadecyl-2'-pyridylsulphide
| Conditions | Yield |
|---|---|
| With 1-hydroxy-2(1H)-pyridinethione; dmap In toluene at 110℃; for 1.5h; | A 55% B 37% |
- 1121-30-8
1-hydroxy-2(1H)-pyridinethione
- 37850-75-2
allyl tert-butyl sulfide
- 112-67-4
n-hexadecanoyl chloride
A
- 112-88-9
octadec-1-ene
B
- 89025-53-6
n-pentadecyl-2'-pyridylsulphide
| Conditions | Yield |
|---|---|
| With dmap at 140℃; for 0.5h; Product distribution; Mechanism; reaction with other alkenes; | A 47% B 30% |
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Specification
The CAS registry number of 1-Octadecene is 112-88-9. The IUPAC name is octadec-1-ene. In addition, it is a long-chain hydrocarbon and an alkene with the molecular formula C18H36. It is a relatively inexpensive solvent and is compatible with oleic acid. What's more, it is a clear colourless to amber liquid which can be used in the synthesis of colloidal quantum dots.
Physical properties about 1-Octadecene are: (1)ACD/LogP: 9.81; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.81; (4)ACD/LogD (pH 7.4): 9.81; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 5170237.5; (8)ACD/KOC (pH 7.4): 5170237.5; (9)#Freely Rotating Bonds: 15; (10)Index of Refraction: 1.443; (11)Molar Refractivity: 85.16 cm3; (12)Molar Volume: 320.7 cm3; (13)Polarizability: 33.76×10-24cm3; (14)Surface Tension: 27.9 dyne/cm; (15)Density: 0.787 g/cm3; (16)Flash Point: 148.9 °C; (17)Enthalpy of Vaporization: 53.34 kJ/mol; (18)Boiling Point: 314.4 °C at 760 mmHg; (19)Vapour Pressure: 0.000863 mmHg at 25°C.
Preparation of 1-Octadecene: this chemical can be prepared by 1-tellanyl-octadecan-2-ol. This reaction will need reagents toluene-p-sulphonyl chloride and pyridine. The yield is about 92%.
Uses of 1-Octadecene: it can be used to produce (E)-17-tetratriacontene. This reaction will need reagents WCl6, Sn(CH3)4 and ethyl acetate. The reaction time is 35 hours at temperature of 80 °C. And the yield is about 49%.
When you are using this chemical, please be cautious about it as the following:
This chemical may irritate eyes and skin, and may cause lung damage if swallowed. When you are using it, do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer) and avoid contact with skin and eyes.
You can still convert the following datas into molecular structure:
(1)SMILES: C=C\CCCCCCCCCCCCCCCC
(2)Std. InChI: InChI=1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3
(3)Std. InChIKey: CCCMONHAUSKTEQ-UHFFFAOYSA-N