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CAS 84-77-5 Didecyl phthalate molecular structure lightbox
CAS RN: 84-77-5

Didecyl phthalate

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260313 250mg In stock Inquiry
  • Product code: SSC-191631
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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 84-77-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥95% 0 Out of Stock Shanghai Inquiry

84-77-5 / didecyl benzene-1,2-dicarboxylate

Standard CAS: 84-77-5 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
84-77-5
Multi CAS
Yes
Molecular Formula
C28H46O4
Molecular Weight
446.700000
Exact Mass
446.339610
InChI
InChI=1S/C28H46O4/c1-3-5-7-9-11-13-15-19-23-31-27(29)25-21-17-18-22-26(25)28(30)32-24-20-16-14-12-10-8-6-4-2/h17-18,21-22H,3-16,19-20,23-24H2,1-2H3
InChIKey
PGIBJVOPLXHHGS-UHFFFAOYSA-N

Physical Properties

Melting Point
2.5 °C
Boiling Point
BP: 261 °C at 5 mmHg
Density
0.9675 at 20 °C/20 °C
Physical Description
Light colored liquid; [Hawley] Clear, very faintly yellow viscous liquid
Appearance
Light-colored liquid Viscous liquid COLORLESS
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
32
Aromatic heavy atom count
6
Fraction Csp3
0.71
Rotatable bonds
20
H-bond acceptors
4
Molar refractivity
132.23
TPSA
52.6

LogP / Solubility

WLOGP
8.28
MLOGP
7.32
XLogP3
11.2
Consensus LogP
8.93
Log S (ESOL)
-6.65
Class (ESOL)
Insoluble
Log S (Ali)
-9.2
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.84
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)
0.44

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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