Product Name

  • Name

    Dodecylheptaglycol

  • EINECS 221-283-9
  • CAS No. 3055-97-8
  • Article Data9
  • CAS DataBase
  • Density 0.99 g/cm3
  • Solubility
  • Melting Point 27-29 °C
  • Formula C26H54O8
  • Boiling Point 553.945 °C at 760 mmHg
  • Molecular Weight 494.71
  • Flash Point 288.816 °C
  • Transport Information
  • Appearance Liquid
  • Safety 26-36
  • Risk Codes 36/37/38
  • Molecular Structure Molecular Structure of 3055-97-8 (Dodecylheptaglycol)
  • Hazard Symbols IrritantXi
  • Synonyms 3,6,9,12,15,18,21-Heptaoxatritriacontan-1-ol;C12E7;C12EO7;Dodecanol heptaethoxy ether;Ethanol,2-[2-[2-[2-[2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]-;Heptaethylene glycol dodecyl ether;Heptaethylene glycol n-dodecyl ether;Heptaethylene glycol, monododecyl ether;Heptaethyleneglycol monolauryl ether;Mergital LT 7;Nikkol BL 7SY;Pingpingjia 7;Rhodasurf LA-7;SINOPOL 1107L;
  • PSA 84.84000
  • LogP 4.01580

Synthetic route

oxirane
75-21-8

oxirane

1-dodecyl alcohol
112-53-8

1-dodecyl alcohol

heptaethylene glycol monododecyl ether
3055-97-8

heptaethylene glycol monododecyl ether

Conditions
ConditionsYield
With K10 clay at 50℃;94%
With potassium hydroxide at 140 - 170℃;
tetraethylene glycol monododecyl ether
5274-68-0

tetraethylene glycol monododecyl ether

C6H12O6S

C6H12O6S

heptaethylene glycol monododecyl ether
3055-97-8

heptaethylene glycol monododecyl ether

Conditions
ConditionsYield
Stage #1: tetraethylene glycol monododecyl ether With sodium hydride In tetrahydrofuran; mineral oil for 0.5h; Inert atmosphere;
Stage #2: C6H12O6S In tetrahydrofuran; mineral oil pH=2; Inert atmosphere;
Stage #3: With sulfuric acid In tetrahydrofuran; water; mineral oil at 80℃; for 2h; Inert atmosphere;
88%
1-(2-{2-[2-(2-chloro-ethoxy)-ethoxy]-ethoxy}-ethoxy)-dodecane
81782-65-2

1-(2-{2-[2-(2-chloro-ethoxy)-ethoxy]-ethoxy}-ethoxy)-dodecane

2,2'-[1,2-ethanediylbis(oxy)]bisethanol
112-27-6

2,2'-[1,2-ethanediylbis(oxy)]bisethanol

heptaethylene glycol monododecyl ether
3055-97-8

heptaethylene glycol monododecyl ether

Conditions
ConditionsYield
With sodium
2,2'-[1,2-ethanediylbis(oxy)]bisethanol
112-27-6

2,2'-[1,2-ethanediylbis(oxy)]bisethanol

heptaethylene glycol monododecyl ether
3055-97-8

heptaethylene glycol monododecyl ether

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: triethylamine; dmap; thionyl chloride / dichloromethane / 0 - 25 °C
2.1: sodium hydride / mineral oil; tetrahydrofuran / 0.5 h / Inert atmosphere
2.2: pH 2 / Inert atmosphere
2.3: 2 h / 80 °C / Inert atmosphere
View Scheme
Tetraethylene glycol
112-60-7

Tetraethylene glycol

heptaethylene glycol monododecyl ether
3055-97-8

heptaethylene glycol monododecyl ether

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: triethylamine; dmap; thionyl chloride / dichloromethane / 0 - 25 °C
2.1: sodium hydride / mineral oil; tetrahydrofuran / 0.5 h / Inert atmosphere
2.2: pH 2 / Inert atmosphere
2.3: 2 h / 80 °C / Inert atmosphere
3.1: sodium hydride / mineral oil; tetrahydrofuran / 0.5 h / Inert atmosphere
3.2: pH 2 / Inert atmosphere
3.3: 2 h / 80 °C / Inert atmosphere
View Scheme
1,3,6,9,12-pentaoxa-2-thiacyclotetradecane 2,2-dioxide

1,3,6,9,12-pentaoxa-2-thiacyclotetradecane 2,2-dioxide

heptaethylene glycol monododecyl ether
3055-97-8

heptaethylene glycol monododecyl ether

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: sodium hydride / mineral oil; tetrahydrofuran / 0.5 h / Inert atmosphere
1.2: pH 2 / Inert atmosphere
1.3: 2 h / 80 °C / Inert atmosphere
2.1: sodium hydride / mineral oil; tetrahydrofuran / 0.5 h / Inert atmosphere
2.2: pH 2 / Inert atmosphere
2.3: 2 h / 80 °C / Inert atmosphere
View Scheme
hexan-1-ol
111-27-3

hexan-1-ol

heptaethylene glycol monododecyl ether
3055-97-8

heptaethylene glycol monododecyl ether

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium hydroxide; zinc(II) oxide / 3 h / 210 °C / Inert atmosphere
2: potassium hydroxide / 1 h / 110 - 140 °C / 1500.15 Torr / Inert atmosphere
View Scheme
oxirane
75-21-8

oxirane

2-(n-butyl)octanol
3913-02-8

2-(n-butyl)octanol

heptaethylene glycol monododecyl ether
3055-97-8

heptaethylene glycol monododecyl ether

Conditions
ConditionsYield
With potassium hydroxide at 110 - 140℃; under 1500.15 Torr; for 1h; Inert atmosphere;
heptaethylene glycol monododecyl ether
3055-97-8

heptaethylene glycol monododecyl ether

methyl iodide
74-88-4

methyl iodide

1-(2-{2-[2-(2-{2-[2-(2-Methoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethoxy)-dodecane
63425-08-1

1-(2-{2-[2-(2-{2-[2-(2-Methoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethoxy)-dodecane

Conditions
ConditionsYield
Stage #1: heptaethylene glycol monododecyl ether With sodium hydride In tetrahydrofuran; mineral oil for 0.5h; Inert atmosphere;
Stage #2: methyl iodide In tetrahydrofuran; mineral oil Inert atmosphere;
94%
(2,3-Dioxo-2,3-dihydro-1H-indol-1-yl)acetic acid
60705-96-6

(2,3-Dioxo-2,3-dihydro-1H-indol-1-yl)acetic acid

heptaethylene glycol monododecyl ether
3055-97-8

heptaethylene glycol monododecyl ether

C36H59NO11

C36H59NO11

Conditions
ConditionsYield
With sulfuric acid In toluene at 150℃; for 35h; Molecular sieve;88.11%
heptaethylene glycol monododecyl ether
3055-97-8

heptaethylene glycol monododecyl ether

C6H12O6S

C6H12O6S

C32H65O14S(1-)*Na(1+)

C32H65O14S(1-)*Na(1+)

Conditions
ConditionsYield
Stage #1: heptaethylene glycol monododecyl ether With sodium hydride In tetrahydrofuran; mineral oil for 0.5h; Inert atmosphere;
Stage #2: C6H12O6S In tetrahydrofuran; mineral oil Inert atmosphere;
82%
heptaethylene glycol monododecyl ether
3055-97-8

heptaethylene glycol monododecyl ether

p-toluenesulfonyl chloride
98-59-9

p-toluenesulfonyl chloride

C33H60O10S

C33H60O10S

Conditions
ConditionsYield
Stage #1: heptaethylene glycol monododecyl ether With sodium hydride In tetrahydrofuran; mineral oil at 0℃; for 0.166667h; Inert atmosphere;
Stage #2: p-toluenesulfonyl chloride In tetrahydrofuran; mineral oil at 0 - 20℃; for 14h; Inert atmosphere;
72%
heptaethylene glycol monododecyl ether
3055-97-8

heptaethylene glycol monododecyl ether

1,3,6,9,12-pentaoxa-2-thiacyclotetradecane 2,2-dioxide

1,3,6,9,12-pentaoxa-2-thiacyclotetradecane 2,2-dioxide

C34H69O15S(1-)*Na(1+)

C34H69O15S(1-)*Na(1+)

Conditions
ConditionsYield
Stage #1: heptaethylene glycol monododecyl ether With sodium hydride In tetrahydrofuran; mineral oil for 0.5h; Inert atmosphere;
Stage #2: 1,3,6,9,12-pentaoxa-2-thiacyclotetradecane 2,2-dioxide In tetrahydrofuran; mineral oil Inert atmosphere;
59%
heptaethylene glycol monododecyl ether
3055-97-8

heptaethylene glycol monododecyl ether

C6H12O6S

C6H12O6S

decaethylene glycol monodecyl ether
6540-99-4

decaethylene glycol monodecyl ether

Conditions
ConditionsYield
Stage #1: heptaethylene glycol monododecyl ether With sodium hydride In tetrahydrofuran; mineral oil for 0.5h; Inert atmosphere;
Stage #2: C6H12O6S In tetrahydrofuran; mineral oil pH=2; Inert atmosphere;
Stage #3: With sulfuric acid In tetrahydrofuran; water; mineral oil at 80℃; for 2h; Inert atmosphere;
56%
heptaethylene glycol monododecyl ether
3055-97-8

heptaethylene glycol monododecyl ether

1,3,6,9,12-pentaoxa-2-thiacyclotetradecane 2,2-dioxide

1,3,6,9,12-pentaoxa-2-thiacyclotetradecane 2,2-dioxide

2-(2-{2-[2-(2-{2-[2-(2-{2-[2-(2-dodecyloxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethanol
25763-63-7

2-(2-{2-[2-(2-{2-[2-(2-{2-[2-(2-dodecyloxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethanol

Conditions
ConditionsYield
Stage #1: heptaethylene glycol monododecyl ether With sodium hydride In tetrahydrofuran; mineral oil for 0.5h; Inert atmosphere;
Stage #2: 1,3,6,9,12-pentaoxa-2-thiacyclotetradecane 2,2-dioxide In tetrahydrofuran; mineral oil pH=2; Inert atmosphere;
Stage #3: With sulfuric acid In tetrahydrofuran; water; mineral oil at 80℃; for 2h; Inert atmosphere;
48%
heptaethylene glycol monododecyl ether
3055-97-8

heptaethylene glycol monododecyl ether

Methacryloyl chloride
920-46-7

Methacryloyl chloride

C30H58O9

C30H58O9

Conditions
ConditionsYield
With triethylamine In dichloromethane at 0℃;
heptaethylene glycol monododecyl ether
3055-97-8

heptaethylene glycol monododecyl ether

C26H52O9

C26H52O9

Conditions
ConditionsYield
With oxygen In water at 80℃; under 6000.6 Torr; for 20h; pH=11; Reagent/catalyst; Autoclave;
heptaethylene glycol monododecyl ether
3055-97-8

heptaethylene glycol monododecyl ether

C30H55FN2O9

C30H55FN2O9

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: sodium hydride / tetrahydrofuran; mineral oil / 0.17 h / 0 °C / Inert atmosphere
1.2: 14 h / 0 - 20 °C / Inert atmosphere
2.1: sodium bromide / acetone / 72 h / 65 °C / Inert atmosphere
3.1: potassium carbonate / N,N-dimethyl-formamide / 0.25 h / 20 °C / Inert atmosphere
3.2: 2 h / 20 - 80 °C / Inert atmosphere
View Scheme
heptaethylene glycol monododecyl ether
3055-97-8

heptaethylene glycol monododecyl ether

C26H53BrO7

C26H53BrO7

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: sodium hydride / tetrahydrofuran; mineral oil / 0.17 h / 0 °C / Inert atmosphere
1.2: 14 h / 0 - 20 °C / Inert atmosphere
2.1: sodium bromide / acetone / 72 h / 65 °C / Inert atmosphere
View Scheme
heptaethylene glycol monododecyl ether
3055-97-8

heptaethylene glycol monododecyl ether

C12H14O8

C12H14O8

C38H66O15

C38H66O15

Conditions
ConditionsYield
at 175℃; Concentration; Temperature; Inert atmosphere;
heptaethylene glycol monododecyl ether
3055-97-8

heptaethylene glycol monododecyl ether

C26H51O9(1-)*Na(1+)

C26H51O9(1-)*Na(1+)

Conditions
ConditionsYield
With dihydrogen peroxide; sodium hydroxide In water at 80℃; for 10h; Reagent/catalyst;
heptaethylene glycol monododecyl ether
3055-97-8

heptaethylene glycol monododecyl ether

C6H12O6S

C6H12O6S

C33H68O11

C33H68O11

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: sodium hydride / mineral oil; tetrahydrofuran / 0.5 h / Inert atmosphere
1.2: pH 2 / Inert atmosphere
1.3: 2 h / 80 °C / Inert atmosphere
2.1: sodium hydride / mineral oil; tetrahydrofuran / 0.5 h / Inert atmosphere
2.2: Inert atmosphere
View Scheme
heptaethylene glycol monododecyl ether
3055-97-8

heptaethylene glycol monododecyl ether

1,3,6,9,12-pentaoxa-2-thiacyclotetradecane 2,2-dioxide

1,3,6,9,12-pentaoxa-2-thiacyclotetradecane 2,2-dioxide

C35H72O12

C35H72O12

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: sodium hydride / mineral oil; tetrahydrofuran / 0.5 h / Inert atmosphere
1.2: pH 2 / Inert atmosphere
1.3: 2 h / 80 °C / Inert atmosphere
2.1: sodium hydride / mineral oil; tetrahydrofuran / 0.5 h / Inert atmosphere
2.2: Inert atmosphere
View Scheme
heptaethylene glycol monododecyl ether
3055-97-8

heptaethylene glycol monododecyl ether

phenyl isocyanate
103-71-9

phenyl isocyanate

C33H59NO9

C33H59NO9

Conditions
ConditionsYield
In methanol; acetonitrile at 70℃; for 1h;
heptaethylene glycol monododecyl ether
3055-97-8

heptaethylene glycol monododecyl ether

A

C26H55O11P

C26H55O11P

B

C26H55O10P

C26H55O10P

Conditions
ConditionsYield
Stage #1: heptaethylene glycol monododecyl ether With phosphorus pentoxide at 80℃; for 5h; Inert atmosphere;
Stage #2: With water for 1h; Temperature;
heptaethylene glycol monododecyl ether
3055-97-8

heptaethylene glycol monododecyl ether

mercaptopentyltriethoxysilane

mercaptopentyltriethoxysilane

C59H122O17SSi

C59H122O17SSi

Conditions
ConditionsYield
With titanium(IV)isopropoxide at 90 - 120℃; for 5h;

Dodecylheptaglycol Specification

The Dodecylheptaglycol, with the cas registry number 3055-97-8, has the IUPAC name of 2-[2-[2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol. Its product categories are including Ethylene Glycols & Monofunctional Ethylene Glycols; Monofunctional Ethylene Glycols.

The physical properties of this chemical are as follows: (1)ACD/LogP: 2.90; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.9; (4)ACD/LogD (pH 7.4): 2.9; (5)ACD/BCF (pH 5.5): 93.95; (6)ACD/BCF (pH 7.4): 93.95; (7)ACD/KOC (pH 5.5): 899.09; (8)ACD/KOC (pH 7.4): 899.09; (9)#H bond acceptors: 8; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 32; (12)Polar Surface Area: 73.84; (13)Index of Refraction: 1.457; (14)Molar Refractivity: 136.25 cm3; (15)Molar Volume: 499.7 cm3; (16)Polarizability: 54.01×10-24 cm3; (17)Surface Tension: 35.6 dyne/cm; (18)Density: 0.989 g/cm3; (19)Flash Point: 288.8 °C; (20)Enthalpy of Vaporization: 95.96 kJ/mol; (21)Boiling Point: 553.9 °C at 760 mmHg; (22)Vapour Pressure: 1.4E-14 mmHg at 25°C; (23)Exact Mass: 494.381869; (24)MonoIsotopic Mass: 494.381869; (25)Topological Polar Surface Area: 84.8; (26)Heavy Atom Count: 34; (27)Formal Charge: 0; (28)Complexity: 347.

When you are dealing with this chemical, you should be very cautious. For being a kind of irritant chemical to eyes, it may cause inflammation to the skin or other mucous membranes. Therefore, you should wear suitable protective clothing. And if in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
 
In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCOCCOCCOCCOCCOCCOCCOCCO
(2)InChI: InChI=1S/C26H54O8/c1-2-3-4-5-6-7-8-9-10-11-13-28-15-17-30-19-21-32-23-25-34-26-24-33-22-20-31-18-16-29-14-12-27/h27H,2-26H2,1H3
(3)InChIKey: DWHIUNMOTRUVPG-UHFFFAOYSA-N 

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