Triethylene glycol(112-27-6) IR2

Product NameTriethylene glycol

CAS 112-27-6

Molecular FormulaC6H14O4

Molecular Weight150.17

InChIInChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2

InChIKey ZIBGPFATKBEMQZ-UHFFFAOYSA-N

SmilesC(OCCO)COCCO

Request For Quotation

Mass

MS-NW-5541          
3,6-dioxa-1,8-octanediol
C6H14O4             (Mass of molecular ion:    150)

   Source Temperature: 250 °C
   Sample Temperature: 190 °C
   Reservoir, 75 eV

      15.0       2.8
      18.0       1.0
      19.0       3.6
      27.0       6.1
      28.0       5.5
      29.0       5.8
      31.0       8.2
      43.0       6.2
      44.0       8.4
      45.0     100.0
      46.0       2.4
      58.0      11.7
      59.0       4.7
      75.0       8.5
      87.0       3.6
      88.0       2.8
      89.0      13.1
      90.0       4.0
     101.0       1.1
     102.0       1.0
     119.0       2.2

400 MHz in CDCl3

¹H NMR	399.65 MHz
C₆ H₁₄ O₄	0.05 ml : 0.5 ml CDCl₃
3,6-dioxa-1,8-octanediol

    Assign.     Shift(ppm)

      A             4.01
      B             3.72
      C             3.672
      D             3.603

     Hz     ppm     Int.

   1603.39   4.012    122
   1490.36   3.730    208
   1486.57   3.720    217
   1467.65   3.673   1000
   1462.52   3.660     53
   1458.74   3.651     30
   1450.93   3.631     32
   1444.58   3.615    409
   1442.99   3.611    173
   1441.16   3.607    258
   1439.58   3.603    383
   1437.50   3.597    153
   1435.30   3.592    306
   1429.81   3.578     28
   1428.34   3.574     26

in CDCl3