| Entry |
|
|---|
| Name |
Diethyl phthalate;
Diethyl 1,2-benzenedicarboxylate
|
|---|
| Formula |
C12H14O4
|
|---|
| Exact mass |
222.0892
|
|---|
| Mol weight |
222.2372
|
|---|
| Structure |
|
|---|
| Remark |
|
|---|
| Brite |
Endocrine disrupting compounds [BR:br08006]
Plasticizers and plastics
Phthalates
C14175 Diethyl phthalate
Risk category of Japanese OTC drugs [BR:br08312]
Third-class OTC drugs
Inorganic and organic chemicals
Diethyl phthalate
D03804 Diethyl phthalate (NF)
|
|---|
| Other DBs |
|
|---|
| LinkDB |
|
|---|
| KCF data |
ATOM 16
1 C8x C 18.1618 -16.2281
2 C8x C 18.1629 -17.6183
3 C8x C 19.3650 -15.5321
4 C8x C 19.3673 -18.3125
5 C8y C 20.5695 -16.2261
6 C8y C 20.5707 -17.6163
7 C7a C 21.7729 -15.5302
8 C7a C 21.7752 -18.3104
9 O7a O 22.9773 -16.2243
10 O7a O 22.9784 -17.6144
11 C1b C 24.1701 -15.5340
12 C1a C 25.3852 -16.2343
13 C1b C 24.1516 -18.2902
14 C1a C 25.3419 -17.6014
15 O6a O 21.7718 -14.1154
16 O6a O 21.7761 -19.8845
BOND 16
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
|
|---|
