BDMAEE

Structural formula

Business number	035H
Molecular formula	C7H16O4
Molecular weight	164.20
label	Triethylene glycol monomethyl ether, Triethylene glycol methyl ether, Triethylene glycol monomethyl ether, Triethylene glycol methyl ether, Triethylene glycol monomethyl ether, 3,6,9-Trioxa-1-decanol, Methyltriglycol, CH3OC2H4OC2H4OC2H4OH, catalyst, Multifunctional solvent

• Numbering system
• Physical property data
• Toxicological data
• Ecological data
• Molecular structure data
• Computing chemical data
• More
  • Properties and Stability
  • Storage method
  • Synthesis method
  • Purpose

Numbering system

CAS number:112-35-6

MDL number:MFCD00002875

EINECS number:203-962-1

RTECS number:KL6390000

BRN number:1700198

PubChem ID:None

Physical property data

1. Properties: Colorless and odorless viscous liquid.

2. Boiling point (ºC, 101.3kPa): 249

3. Melting point (freezing point) (ºC): -44

4. Relative density (g /mL, 20/20ºC): 1.0494

5. Relative vapor density (g/mL, air=1): 5.66

6. Refractive index (20ºC): 1.4381

7. Viscosity (mPa·s, 20ºC): 7.5

8. Flash point (ºC, opening): 118

9. Fire point (ºC): 371

10. Heat of evaporation (KJ/mol): 54.0

11. Heat of combustion (KJ/mol): 3563.4

12. Specific heat capacity (KJ/( kg·K), constant pressure): 2.18

13. Vapor pressure (kPa, 20ºC): <0.00133

14. Vapor pressure (kPa, 126ºC): 1.33

15. Vapor pressure (kPa, 162ºC): 6.67

16. Solubility: Miscible with water, 0.8% dissolved in heptane at 20°C.

Toxicological data

The oral LD50 in rats is 11.3mL/kg. The rabbit transdermal LD50 is 7.1mL/kg. The longest survival time of rats after inhaling saturated vapor is 8 hours.

Ecological data

None yet

Molecular structure data

1. Molar refractive index: 41.24

2. Molar volume (cm³/mol): 160.6

3. Isotonic specific volume (90.2K ): 386.3

4. Surface tension (dyne/cm): 33.4

5. Polarizability (10^-24cm³): 16.35

Compute chemical data

1. Hydrophobic parameter calculation reference value (XlogP): None

2. Number of hydrogen bond donors: 1

3. Number of hydrogen bond acceptors: 4

4. Number of rotatable chemical bonds: 8

5. Number of tautomers: None

6. Topological molecule polar surface area 47.9

7. Number of heavy atoms: 11

8. Surface Charge: 0

9. Complexity: 67.5

10. Number of isotope atoms: 0

11. Determine the number of atomic stereocenters: 0

12. Uncertain number of atomic stereocenters: 0

13. Determined number of chemical bond stereocenters: 0

14. Uncertain number of chemical bond stereocenters: 0

15. Number of covalent bond units: 1

Properties and stability

Has the chemical properties of alcohol and ether.

Storage method

None yet

Synthesis method

None yet

Purpose

Used as solvent.