-
Name
C12E5
- EINECS 221-281-8
- CAS No. 3055-95-6
- Article Data11
- CAS DataBase
- Density 0.965 g/cm3
- Solubility
- Melting Point 14.5-15.0 °C
- Formula C22H46O6
- Boiling Point 486.6 ºC at 760 mmHg
- Molecular Weight 406.604
- Flash Point 248.1 ºC
- Transport Information
- Appearance solid
- Safety 26-36/39
- Risk Codes 37/38-41
-
Molecular Structure
-
Hazard Symbols
Xi
- Synonyms C12E5;C12EO5;Dodecyl penta(ethylene oxide);Ethanol,2-[2-[2-[2-[2-(dodecyloxy)ethoxy]ethoxy]ethoxy]ethoxy]-;Monododecyl pentaethyleneglycol;Penta(ethylene oxide) dodecyl ether;Pentaethylene glycol dodecylether;Pentaethylene glycol lauryl ether;Pentaethylene glycol mono-n-dodecylether;Pentaethylene glycol monododecyl ether;Pentaethylene glycol monolaurylether;Pentaoxyethylene glycol mono-n-dodecyl ether;Pentaoxyethylenemonododecyl ether;n-Dodecyl pentaethylene glycol ether;n-Dodecylpentaoxyethylene glycol ether;n-Dodecyl pentaoxyethylene monoether;a-Dodecyl-w-hydroxypentakis(oxyethylene);SINOPOL 1105;
- PSA 66.38000
- LogP 3.98260
Synthetic route
| Conditions | Yield |
|---|---|
| With K10 clay at 50℃; | 94% |
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-
5274-68-0
tetraethylene glycol monododecyl ether
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107-07-3
2-chloro-ethanol
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3055-95-6
pentaethylene glycol mono-n-dodecyl ether
| Conditions | Yield |
|---|---|
| With sodium |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1: boron fluorid-acetic acid adduct 2: boron fluorid-acetic acid adduct 3: boron fluorid-acetic acid adduct 4: boron fluorid-acetic acid adduct 5: sodium View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: boron fluorid-acetic acid adduct 2: boron fluorid-acetic acid adduct 3: boron fluorid-acetic acid adduct 4: sodium View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: boron fluorid-acetic acid adduct 2: boron fluorid-acetic acid adduct 3: sodium View Scheme |
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3055-94-5
2-[2-(2-Dodecyloxy-ethoxy)-ethoxy]-ethanol
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3055-95-6
pentaethylene glycol mono-n-dodecyl ether
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: boron fluorid-acetic acid adduct 2: sodium View Scheme |
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3055-95-6
pentaethylene glycol mono-n-dodecyl ether
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79-08-3
bromoacetic acid
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-
20260-64-4
C12E5OCH2COOH
| Conditions | Yield |
|---|---|
| Stage #1: pentaethylene glycol mono-n-dodecyl ether With sodium hydride In tetrahydrofuran at 20℃; for 0.5h; Stage #2: bromoacetic acid In tetrahydrofuran at 60℃; for 12.5h; | 94% |
| With sodium hydride In tetrahydrofuran at 60℃; for 12h; | 90% |
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-
3055-95-6
pentaethylene glycol mono-n-dodecyl ether
-
-
60705-96-6
(2,3-Dioxo-2,3-dihydro-1H-indol-1-yl)acetic acid
| Conditions | Yield |
|---|---|
| With sulfuric acid In toluene at 150℃; for 35h; Molecular sieve; | 88.7% |
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-
3055-95-6
pentaethylene glycol mono-n-dodecyl ether
| Conditions | Yield |
|---|---|
| With pyridinium trifluroacetate; dimethyl sulfoxide; dicyclohexyl-carbodiimide In toluene at 20℃; for 48h; Oxidation; | 40% |
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3055-95-6
pentaethylene glycol mono-n-dodecyl ether
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-
3926-62-3
sodium monochloroacetic acid
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-
20260-64-4
C12E5OCH2COOH
| Conditions | Yield |
|---|---|
| With sodium In xylene at 110 - 130℃; for 16h; | 25% |
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3055-95-6
pentaethylene glycol mono-n-dodecyl ether
| Conditions | Yield |
|---|---|
| In water at 20℃; |
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-
3055-95-6
pentaethylene glycol mono-n-dodecyl ether
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 90 percent / NaH / tetrahydrofuran / 12 h / 60 °C 2: 70 percent / 1-hydroxybenzotriazole; EDC / dimethylformamide / 12 h / 20 °C View Scheme |
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4167-02-6
2-bromoethylphosphoric acid dichloride
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3055-95-6
pentaethylene glycol mono-n-dodecyl ether
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81051-22-1
3,6,9,12,15-Pentaoxaheptacosyl 2-bromoethyl phosphate
| Conditions | Yield |
|---|---|
| In tetrachloromethane; water; toluene |
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3055-95-6
pentaethylene glycol mono-n-dodecyl ether
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21127-45-7
(2-{2-[2-(2-Dodecyloxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-acetic acid
| Conditions | Yield |
|---|---|
| With Jones reagent In acetone at 20℃; |
| Conditions | Yield |
|---|---|
| In methanol; acetonitrile at 70℃; for 1h; |
3,6,9,12,15-Pentaoxaheptacosan-1-ol Specification
The IUPAC name of 3,6,9,12,15-Pentaoxaheptacosan-1-ol is 2-[2-[2-[2-(2-dodecoxyethoxy)ethoxy]ethoxy]ethoxy]ethanol. With the CAS registry number 3055-95-6, it is also named as Pentaethylene glycol monododecyl ether. The product's categories are Ethylene Glycols & Monofunctional Ethylene Glycols; Monofunctional Ethylene Glycols, and the other registry number is 136561-93-8. Besides, it is solid, which should be stored in sealed, cool and dry place at 2-8 °C. It is stable, flammable, and incompatible with strong oxidizing agents. In addition, its molecular formula is C22H46O6 and molecular weight is 406.597.
The other characteristics of this product can be summarized as: (1)EINECS: 221-281-8; (2)ACD/LogP: 3.62; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 3.61; (5)ACD/LogD (pH 7.4): 3.61; (6)ACD/BCF (pH 5.5): 329.07; (7)ACD/BCF (pH 7.4): 329.07; (8)ACD/KOC (pH 5.5): 2205.36; (9)ACD/KOC (pH 7.4): 2205.36; (10)#H bond acceptors: 6; (11)#H bond donors: 1; (12)#Freely Rotating Bonds: 26; (13)Index of Refraction: 1.455; (14)Molar Refractivity: 114.23 cm3; (15)Molar Volume: 421 cm3; (16)Surface Tension: 34.7 dyne/cm; (17)Density: 0.965 g/cm3; (18)Flash Point: 248.1 °C; (19)Enthalpy of Vaporization: 86.68 kJ/mol; (20)Boiling Point: 486.6 °C at 760 mmHg; (21)Vapour Pressure: 1.65E-11 mmHg at 25 °C.
Uses of 3,6,9,12,15-Pentaoxaheptacosan-1-ol: this chemical is used as a nonionic surfactant. Additionally, it can be used to produce (2-{2-[2-(2-Dodecyloxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-acetaldehyde.
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This reaction needs DMSO, Pyridinium trifluoroacetate, Dicyclohexylcarbodiimide and Toluene at temperature of 20 °C for 48 hours. The yield is 40 %.
When you are using this chemical, please be cautious about it as the following: it is irritating to respiratory system and skin. It is also risk of serious damage to the eyes. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing and eye/face protection.
People can use the following data to convert to the molecule structure.
(1)SMILES: O(CCO)CCOCCOCCOCCOCCCCCCCCCCCC
(2)InChI: InChI=1/C22H46O6/c1-2-3-4-5-6-7-8-9-10-11-13-24-15-17-26-19-21-28-22-20-27-18-16-25-14-12-23/h23H,2-22H2,1H3
(3)InChIKey: LAPRIVJANDLWOK-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C22H46O6/c1-2-3-4-5-6-7-8-9-10-11-13-24-15-17-26-19-21-28-22-20-27-18-16-25-14-12-23/h23H,2-22H2,1H3
(5)Std. InChIKey: LAPRIVJANDLWOK-UHFFFAOYSA-N
The toxicity data is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD | oral | > 508mg/kg (508mg/kg) | BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: EXCITEMENT BEHAVIORAL: ATAXIA | National Technical Information Service. Vol. OTS0556400, |
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