| Entry |
|
|---|
| Name |
Di(2-ethylhexyl) adipate;
Dioctyl adipate;
Diethylhexyl adipate
|
|---|
| Formula |
C22H42O4
|
|---|
| Exact mass |
370.3083
|
|---|
| Mol weight |
370.57
|
|---|
| Structure |
|
|---|
| Pathway |
| map05207 | Chemical carcinogenesis - receptor activation |
|
|---|
| Brite |
Endocrine disrupting compounds [BR:br08006]
Plasticizers and plastics
Phthalates
C14240 Diethylhexyl adipate
|
|---|
| Other DBs |
|
|---|
| KCF data |
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
|
|---|
