KEGG   COMPOUND: C14214Help
Entry
C14214                      Compound                               
Name
Dibutyl phthalate;
Di-n-butyl phthalate;
Dibutyl 1,2-benzenedicarboxylate
Formula
C16H22O4
Exact mass
278.1518
Mol weight
278.3435
Structure
Mol fileKCF fileDB searchJmolKegDraw
Comment
insect repellent
Brite
Endocrine disrupting compounds [BR:br08006]
 Plasticizers and plastics
  Phthalates
   C14214  Dibutyl phthalate
Pesticides [BR:br08007]
 Obsolete pesticides
  Others
   Insect repellents
    C14214  Dibutyl phthalate
BRITE hierarchy
Other DBs
CAS: 
84-74-2
PubChem: 
ChEBI: 
PDB-CCD: 
NIKKAJI: 
KCF data Show

ATOM        20
            1   C8x C    24.0423  -16.1586
            2   C8x C    24.0434  -17.5488
            3   C8x C    25.2455  -15.4625
            4   C8x C    25.2478  -18.2430
            5   C8y C    26.4501  -16.1566
            6   C8y C    26.4513  -17.5468
            7   C7a C    27.6535  -15.4606
            8   C7a C    27.6558  -18.2409
            9   O7a O    28.8579  -16.1548
            10  O7a O    28.8590  -17.5449
            11  C1b C    30.0508  -15.4644
            12  C1b C    31.2659  -16.1648
            13  C1b C    30.0323  -18.2207
            14  C1b C    31.2226  -17.5319
            15  O6a O    27.6524  -14.0458
            16  O6a O    27.6567  -19.8151
            17  C1b C    32.4937  -15.4543
            18  C1b C    32.4207  -18.2216
            19  C1a C    33.6339  -17.5193
            20  C1a C    33.7039  -16.1516
BOND        20
            1     1   2 2
            2     1   3 1
            3     2   4 1
            4     3   5 2
            5     4   6 2
            6     5   6 1
            7     5   7 1
            8     6   8 1
            9     7   9 1
            10    8  10 1
            11    9  11 1
            12   11  12 1
            13   10  13 1
            14   13  14 1
            15    7  15 2
            16    8  16 2
            17   12  17 1
            18   14  18 1
            19   18  19 1
            20   17  20 1

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