Basic information
- Name:
Dodecylheptaglycol
- CAS No.:
3055-97-8
- Molecular Structure:
- Formula:
- C26H54O8
- Molecular Weight:
- 494.71
- 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;
- EINECS:
- 221-283-9
- Density:
- 0.99 g/cm3
- Melting Point:
- 27-29 °C
- Boiling Point:
- 553.945 °C at 760 mmHg
- Flash Point:
- 288.816 °C
- Hazard Symbols:
Xi- Risk Codes:
- 36/37/38
- Safety Description:
- 26-36 Details
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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