Vanillyl butyl ether
C12H18O3
82654-98-6 Copyright (C) 2024 ACS
  0  0  0     0  0            999 V3000
M  V30 BEGIN CTAB
M  V30 COUNTS  15 15 0 0 0
M  V30 BEGIN ATOM
M  V30 1 C 5.3348 1.5400 0.0 0
M  V30 2 O 6.6685 2.3101 0.0 0
M  V30 3 C 8.0022 1.5400 0.0 0
M  V30 4 C 9.3360 2.3101 0.0 0
M  V30 5 C 10.6697 1.5400 0.0 0
M  V30 6 C 12.0033 2.3101 0.0 0
M  V30 7 O 0.0000 1.5400 0.0 0
M  V30 8 C 0.0000 0.0000 0.0 0
M  V30 9 O 0.0000 4.6201 0.0 0
M  V30 10 C 4.0012 2.3101 0.0 0
M  V30 11 C 2.6673 1.5400 0.0 0
M  V30 12 C 4.0012 3.8501 0.0 0
M  V30 13 C 1.3337 2.3101 0.0 0
M  V30 14 C 2.6673 4.6201 0.0 0
M  V30 15 C 1.3337 3.8501 0.0 0
M  V30 END ATOM
M  V30 BEGIN BOND
M  V30 1 1 1 2
M  V30 2 1 1 10
M  V30 3 1 2 3
M  V30 4 1 3 4
M  V30 5 1 4 5
M  V30 6 1 5 6
M  V30 7 1 7 8
M  V30 8 1 7 13
M  V30 9 1 9 15
M  V30 10 2 10 11
M  V30 11 1 10 12
M  V30 12 1 11 13
M  V30 13 2 12 14
M  V30 14 2 13 15
M  V30 15 1 14 15
M  V30 END BOND
M  V30 END CTAB
M  END
> <cas.rn>
82654-98-6

> <cas.index.name>
Phenol, 4-(butoxymethyl)-2-methoxy-

> <molecular.formula>
C12H18O3

> <molecular.weight>
210.27

> <boiling.point.experimental>
240-241 °C

> <density.predicted>
1.048±0.06 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
9.73±0.20    Most Acidic Temp: 25 °C

$$$$
