KEGG   COMPOUND: C14211Help
Entry
C14211                      Compound                               

Name
Butylbenzyl phthalate;
Butyl phenylmethyl 1,2-benzenedicarboxylate
Formula
C19H20O4
Exact mass
312.1362
Mol weight
312.3597
Structure
Mol fileKCF fileDB searchJmolKegDraw
Brite
Endocrine disrupting compounds [BR:br08006]
 Plasticizers and plastics
  Phthalates
   C14211  Butylbenzyl phthalate
Carcinogens [BR:br08008]
 Group 3: Not classifiable as to its carcinogenicity to humans
  Compounds
   C14211  Butylbenzyl phthalate
BRITE hierarchy
Other DBs
CAS: 
85-68-7
PubChem: 
KNApSAcK: 
PDB-CCD: 
NIKKAJI: 
LinkDB All DBs
KCF data Show

ATOM        23
            1   C8x C    23.9863  -19.0666
            2   C8x C    24.0225  -17.6292
            3   C8x C    25.2592  -19.7370
            4   C8x C    25.2270  -16.9224
            5   C8y C    26.4637  -19.0304
            6   C8y C    26.4653  -17.6531
            7   C7a C    27.6888  -16.9679
            8   O7a O    28.8982  -17.6662
            9   C1b C    30.1076  -16.9679
            10  C7a C    27.6888  -19.7609
            11  O7a O    28.8982  -19.0627
            12  C1b C    30.1076  -19.7609
            13  C1b C    31.3170  -19.0627
            14  C1b C    32.5265  -19.7609
            15  C1a C    33.7358  -19.0627
            16  O6a O    27.6979  -15.5718
            17  O6a O    27.7489  -21.1574
            18  C8y C    30.1076  -15.5714
            19  C8x C    31.3191  -14.8720
            20  C8x C    31.3191  -13.4755
            21  C8x C    30.1096  -12.7772
            22  C8x C    28.8982  -13.4767
            23  C8x C    28.8982  -14.8732
BOND        24
            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     6   7 1
            8     7   8 1
            9     8   9 1
            10    5  10 1
            11   10  11 1
            12   11  12 1
            13   12  13 1
            14   13  14 1
            15   14  15 1
            16    7  16 2
            17   10  17 2
            18    9  18 1
            19   18  19 2
            20   19  20 1
            21   20  21 2
            22   21  22 1
            23   22  23 2
            24   18  23 1

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