CAS RN: 84-76-4
Dinonyl Phthalate (mixture of isomers)
Product Availability
Choose a grade to view its available package options.
14 package records13 with current stock7 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20251027 | 5ml | In stock | Shanghai, Shandong | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20260410 | 2ml | Out of stock | 8-10 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250215 | 25ml / 100ml / 500ml / 2.5L / 10L | Confirm by inquiry | Shanghai, Shandong, Chongqing | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250813 | 250mg | In stock | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250810 | 5ml | In stock | Shanghai, Shandong, Chongqing | Inquiry |
- Product code: ICTP0303
- Purity/Analytical Methods: >95.0%(GC)
84-76-4 / dinonyl benzene-1,2-dicarboxylate
Basic Information
CAS
84-76-4
Multi CAS
Yes
Molecular Formula
C26H42O4
Molecular Weight
418.600000
Exact Mass
418.308310
InChI
InChI=1S/C26H42O4/c1-3-5-7-9-11-13-17-21-29-25(27)23-19-15-16-20-24(23)26(28)30-22-18-14-12-10-8-6-4-2/h15-16,19-20H,3-14,17-18,21-22H2,1-2H3
InChIKey
DROMNWUQASBTFM-UHFFFAOYSA-N
Physical Properties
Boiling Point
775 °F at 760 mmHg (USCG, 1999)
413 °C
Density
0.97 (USCG, 1999) - Less dense than water; will float
0.972 at 20 °C
Physical Description
Dinonyl phthalate is an odorless colorless liquid. (USCG, 1999)
Liquid
Colorless liquid; [Hawley]
Appearance
Colorless liquid
State
Liquid
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
6
Fraction Csp3
0.69
Rotatable bonds
18
H-bond acceptors
4
Molar refractivity
122.99
TPSA
52.6
LogP / Solubility
WLOGP
7.5
MLOGP
6.63
XLogP3
10.1
Consensus LogP
8.08
Log S (ESOL)
-6.12
Class (ESOL)
Insoluble
Log S (Ali)
-8.41
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.77
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
0.05
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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