C14214


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
Remark
ATC code: P03BX03
Brite
Endocrine disrupting compounds [BR:br08006]
 Plasticizers and plastics
  Phthalates
   C14214  Dibutyl phthalate
Pesticides [BR:br08007]
 Obsolete pesticides
  Others
   Insect repellents
    C14214  Dibutyl phthalate
Anatomical Therapeutic Chemical (ATC) classification [BR:br08303]
 P ANTIPARASITIC PRODUCTS, INSECTICIDES AND REPELLENTS
  P03 ECTOPARASITICIDES, INCL. SCABICIDES, INSECTICIDES AND REPELLENTS
   P03B INSECTICIDES AND REPELLENTS
    P03BX Other insecticides and repellents
     P03BX03 Dibutylphthalate
      C14214  Dibutyl phthalate
Other DBs
CAS: 84-74-2
PubChem: 7847024
ChEBI: 34687
PDB-CCD: DB7[PDBj]
NIKKAJI: J3.882B
KCF data

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