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1-Dodecyne

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Name

1-Dodecyne

EINECS 212-134-9
CAS No. 765-03-7 Density 0.79 g/cm3
PSA 0.00000 LogP 4.15040
Solubility Not miscible in water. Melting Point ?19 °C(lit.)
Formula C12H22 Boiling Point 215 °C at 760 mmHg
Molecular Weight 166.307 Flash Point 79.4 °C
Transport Information N/A Appearance clear colorless to light yellow liquid
Safety 26-39 Risk Codes 41
Molecular Structure Molecular Structure of 765-03-7 (1-Dodecyne) Hazard Symbols IrritantXi
Synonyms

Decylacetylene;n-Decylacetylene;dodec-1-yne;Dodec-1-in;dodec-1-yne;Decylacetylene;

Article Data 28

1-Dodecyne Synthetic route

6975-99-1

6-dodecyne

765-03-7

1-dodecyne

Conditions
ConditionsYield
With potassium salt of 1,3-diaminopropane In tetrahydrofuran at 0℃; for 0.5h; other reagent;97%
With sodium amide; mineral oil at 210℃;
86014-21-3

(Z)-1-dimethylphenylsilyl-2-iodo-1-dodecene

765-03-7

1-dodecyne

Conditions
ConditionsYield
With tetrabutyl ammonium fluoride In tetrahydrofuran; dimethyl sulfoxide at 80℃; for 0.25h;95%
121134-52-9

1-trimethylsilyldodec-1-yne

765-03-7

1-dodecyne

Conditions
ConditionsYield
With silver nitrate In water; acetone at 20 - 55℃; for 48h;92%
19780-12-2

5-dodecyne

765-03-7

1-dodecyne

Conditions
ConditionsYield
With lithium 2-aminoethylamide In ethylenediamine for 0.333333h; amide-hydrocarbon ratio 3.5:1;85%
112-44-7

undecylaldehyde

ROMPgel-supported ethyl 1-diazo-2-oxopropylphosphonate

ROMPgel-supported ethyl 1-diazo-2-oxopropylphosphonate

765-03-7

1-dodecyne

Conditions
ConditionsYield
With potassium carbonate In methanol at 4℃; for 36h; Horner-Wadsworth-Emmons reaction;70%
112-29-8

1-bromo dodecane

29552-15-6

4-chloro-2-methylbut-3-yn-2-ol

765-03-7

1-dodecyne

Conditions
ConditionsYield
With magnesium In tetrahydrofuran; benzene at 50 - 65℃; for 4h;52.3%
1052762-47-6

lithium 1-phenylethenolate

88841-79-6

1-dodecenyl phenyl selenone

A

765-03-7

1-dodecyne

B

73985-89-4

2-decylcyclopropyl phenyl ketone

Conditions
ConditionsYield
A 19%
B 41%
55334-42-4

1,2-Dibromododecane

765-03-7

1-dodecyne

Conditions
ConditionsYield
With potassium hydroxide
With potassium hydroxide; sodium hydride 1.) water, EtOH, reflux, 2 h, 2.) DMSO, 10 deg C, 1 h; Yield given. Multistep reaction;
112-29-8

1-bromo dodecane

1066-26-8

sodium acetylide

765-03-7

1-dodecyne

Conditions
ConditionsYield
With ammonia; sodium amide under 5884.06 Torr;
With ammonia; N,N-dimethyl-formamide nach Entfernung des Ammoniaks bei 65-70grad;
2050-77-3

Iododecane

1066-26-8

sodium acetylide

765-03-7

1-dodecyne

Conditions
ConditionsYield
With ammonia unter Druck;

1-Dodecyne Specification

The 1-Dodecyne, with the CAS registry number 765-03-7 and EINECS registry number 212-134-9, has the systematic name and IUPAC name of dodec-1-yne. It is a kind of clear colorless to light yellow liquid, and belongs to the following procuct categories: Acetylenes; Acetylenic Hydrocarbons; Alkynes; Organic Building Blocks; Termina. And the molecular formula of the chemical is C12H22.

The characteristics of 1-Dodecyne are as followings: (1)ACD/LogP: 5.78; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.78; (4)ACD/LogD (pH 7.4): 5.78; (5)ACD/BCF (pH 5.5): 14545.38; (6)ACD/BCF (pH 7.4): 14545.38; (7)ACD/KOC (pH 5.5): 33209.78; (8)ACD/KOC (pH 7.4): 33209.78; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.44; (14)Molar Refractivity: 55.47 cm3; (15)Molar Volume: 210.3 cm3; (16)Polarizability: 21.99×10-24cm3; (17)Surface Tension: 29 dyne/cm; (18)Density: 0.79 g/cm3; (19)Flash Point: 79.4 °C; (20)Enthalpy of Vaporization: 43.29 kJ/mol; (21)Boiling Point: 215 °C at 760 mmHg; (22)Vapour Pressure: 0.222 mmHg at 25°C. 

Uses of 1-Dodecyne: It can react with butane-1-thiol to produce 1-butylsulfanyl-dodec-1-ene. This reaction will need reagent Et3B and MeOH, and the menstruum hexan and benzene. The reaction time is 4 hours with temperature of 25°C, and the yield is about 60%. 

You should be cautious while dealing with this chemical. It has risk of serious damage to eyes. Therefore, you had better take the following instructions: Wear suitable eye/face protection, and if in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: C#CCCCCCCCCCC
(2)InChI: InChI=1/C12H22/c1-3-5-7-9-11-12-10-8-6-4-2/h1H,4-12H2,2H3
(3)InChIKey: ZVDBUOGYYYNMQI-UHFFFAOYAI

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