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CAS 78-30-8 Tri-o-cresyl Phosphate molecular structure lightbox
CAS RN: 78-30-8

Tri-o-cresyl Phosphate

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260324 1g / 5g / 25g / 100g / 500g Confirm by inquiry Shanghai, Shandong, Hebei Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250405 100g In stock Shanghai Inquiry
Batchno.20250724 25g In stock Shanghai Inquiry
Batchno.20260117 500g Out of stock Inquiry
Batchno.20250927 5g In stock Shanghai Inquiry
  • Product code: ICTP1331
  • Purity/Analytical Methods: >97.0%(GC)
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78-30-8 / tris(2-methylphenyl) phosphate

Standard CAS: 78-30-8 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
78-30-8
Multi CAS
Yes
Molecular Formula
C21H21O4P
Molecular Weight
368.400000
Exact Mass
368.117746
InChI
InChI=1S/C21H21O4P/c1-16-10-4-7-13-19(16)23-26(22,24-20-14-8-5-11-17(20)2)25-21-15-9-6-12-18(21)3/h4-15H,1-3H3
InChIKey
YSMRWXYRXBRSND-UHFFFAOYSA-N

Physical Properties

Melting Point
11 °C -22-(-)13 °F 52 °F
Boiling Point
410 °C BP: approximately 410 °C with slight decomposition 770 °F (Slight decomposition) 770 °F (Decomposes)
Density
1.1955 g/cu cm at 20 °C Relative density (water = 1): 1.2 1.16 1.20
Physical Description
Colorless to pale-yellow, odorless liquid or solid (below 52 degrees F). [NIOSH] COLOURLESS OR PALE YELLOW LIQUID. Colorless to pale-yellow, odorless liquid or solid (below 52 °F).
Appearance
Colorless or pale yellow liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
26
Aromatic heavy atom count
18
Fraction Csp3
0.14
Rotatable bonds
6
H-bond acceptors
4
Molar refractivity
103.03
TPSA
44.76

LogP / Solubility

WLOGP
6.26
MLOGP
5.53
XLogP3
6.1
Consensus LogP
5.96
Log S (ESOL)
-6.18
Class (ESOL)
Insoluble
Log S (Ali)
-7.1
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.97
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-0.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5

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