KEGG   COMPOUND: C14240Help
Entry
C14240                      Compound                               

Name
Di(2-ethylhexyl) adipate;
Dioctyl adipate;
Diethylhexyl adipate
Formula
C22H42O4
Exact mass
370.3083
Mol weight
370.5665
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Endocrine disrupting compounds [BR:br08006]
 Plasticizers and plastics
  Phthalates
   C14240  Diethylhexyl adipate
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C14240  Di(2-ethylhexyl) adipate
BRITE hierarchy
Other DBs
CAS: 
103-23-1
PubChem: 
ChEBI: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        26
            1   C1c C    22.1391  -16.6115
            2   C1b C    23.4006  -17.3123
            3   C1b C    20.9477  -17.3123
            4   C1b C    22.1391  -15.2098
            5   O7a O    24.5921  -16.6115
            6   C1b C    19.7562  -16.6115
            7   C1a C    20.9477  -14.5089
            8   C7a C    25.7835  -17.3123
            9   C1b C    18.4947  -17.3123
            10  C1b C    27.0451  -16.6115
            11  O6a O    25.7835  -18.7140
            12  C1a C    17.3033  -16.6115
            13  C1b C    28.2365  -17.3123
            14  C1b C    29.4280  -16.6115
            15  C1b C    30.6895  -17.3123
            16  C7a C    31.8809  -16.6115
            17  O7a O    33.0724  -17.3123
            18  O6a O    31.8809  -15.2098
            19  C1b C    34.2638  -16.6115
            20  C1c C    35.5253  -17.3123
            21  C1b C    36.7168  -16.6115
            22  C1b C    35.5253  -18.7140
            23  C1b C    37.9082  -17.3123
            24  C1a C    36.7168  -19.4149
            25  C1b C    39.1698  -16.6115
            26  C1a C    40.3612  -17.3123
BOND        25
            1     1   2 1
            2     1   3 1
            3     1   4 1
            4     2   5 1
            5     3   6 1
            6     4   7 1
            7     5   8 1
            8     6   9 1
            9     8  10 1
            10    8  11 2
            11    9  12 1
            12   10  13 1
            13   13  14 1
            14   14  15 1
            15   15  16 1
            16   16  17 1
            17   16  18 2
            18   17  19 1
            19   19  20 1
            20   20  21 1
            21   20  22 1
            22   21  23 1
            23   22  24 1
            24   23  25 1
            25   25  26 1

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