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1-Octadecene

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Name

1-Octadecene

EINECS 204-012-9
CAS No. 112-88-9 Density 0.787 g/cm3
PSA 0.00000 LogP 7.04380
Solubility Miscible with alcohol, acetone and ether. Immiscible with water. Melting Point 14-16 °C(lit.)
Formula C18H36 Boiling Point 314.382 °C at 760 mmHg
Molecular Weight 252.484 Flash Point 148.889 °C
Transport Information N/A Appearance Clear colourless to amber liquid
Safety 23-24/25 Risk Codes 65
Molecular Structure Molecular Structure of 112-88-9 (1-Octadecene) Hazard Symbols HarmfulXn
Synonyms

Octadecylene;alpha-Octadecene;n-1-Octadecene;NSC 66460;a-Octadecene;

Article Data 65

1-Octadecene Synthetic route

7390-81-0

2-hexadecyloxirane

112-88-9

octadec-1-ene

Conditions
ConditionsYield
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
ConditionsYield
With pyridine; p-toluenesulfonyl chloride92%
5162-44-7

1-bromo-4-butene

n-tetradecylmagnesium chloride

112-88-9

octadec-1-ene

Conditions
ConditionsYield
With 2,6-C6H3(CH2NMe2)2MnLiCl291%
143-28-2

oleoyl alcohol

112-88-9

octadec-1-ene

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With dmap; allyl tert-butyl sulfide In toluene at 110℃; for 2.5h;A 11%
B 23%
C 62%
7390-81-0

2-hexadecyloxirane

A

112-92-5

1-octadecanol

B

112-88-9

octadec-1-ene

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
With dmap at 140℃; for 0.5h; Product distribution; Mechanism; reaction with other alkenes;A 47%
B 30%

1-Octadecene 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%.

1-Octadecene can be prepared by 1-tellanyl-octadecan-2-ol

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%.

1-Octadecene can be used to produce (E)-17-tetratriacontene

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

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