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CAS 28553-12-0 Diisononyl Phthalate (mixture of branched chain isomers) molecular structure lightbox
CAS RN: 28553-12-0

Diisononyl Phthalate (mixture of branched chain isomers)

Product Availability

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2 package records1 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250517 25g / 100g / 500g / 2.5kg / 10kg / 20kg Confirm by inquiry Shanghai, Shandong, Guangdong, Hebei, Chongqing Inquiry
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20250212 250mg Out of stock 8-10 business days Inquiry
  • Product code: SSC-129992
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 100g
  • Available purity: ＞95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 28553-12-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞95% 0 Out of Stock Shenzhen Inquiry

28553-12-0 / dinonyl benzene-1,2-dicarboxylate

Standard CAS: 28553-12-0 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
28553-12-0
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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