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CAS 115-82-2 Tetrakis(2-ethylhexyl) Orthosilicate molecular structure lightbox
CAS RN: 115-82-2

Tetrakis(2-ethylhexyl) Orthosilicate

  • Product code: SSC-014688
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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: 5ml
  • Available purity: ≥97%
  • 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 115-82-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
5ml ≥97% 0 Out of Stock Beijing Inquiry

115-82-2 / tetrakis(2-ethylhexyl) silicate

Tetrakis(2-ethylhexyl) silicate | Tetrakis(2-ethylhexyl) orthosilicate | Silicic acid (H4SiO4), tetrakis(2-ethylhexyl) ester

Standard CAS: 115-82-2 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
115-82-2
Multi CAS
Yes
Molecular Formula
C32H68O4Si
Molecular Weight
545.000000
Exact Mass
544.488687
SMILES
CCCCC(CC)CO[Si](OCC(CC)CCCC)(OCC(CC)CCCC)OCC(CC)CCCC
InChI
InChI=1S/C32H68O4Si/c1-9-17-21-29(13-5)25-33-37(34-26-30(14-6)22-18-10-2,35-27-31(15-7)23-19-11-3)36-28-32(16-8)24-20-12-4/h29-32H,9-28H2,1-8H3
InChIKey
MQHSFMJHURNQIE-UHFFFAOYSA-N
Synonyms
Tetrakis(2-ethylhexyl) silicate Tetrakis(2-ethylhexyl) orthosilicate Silicic acid (H4SiO4), tetrakis(2-ethylhexyl) ester 2-Ethyl-1-hexanol silicate 2-Ethylhexyl orthosilicate

Computed Properties

Structural Parameters

Heavy atom count
37
Fraction Csp3
1
Rotatable bonds
28
H-bond acceptors
4
Molar refractivity
162.79
TPSA
36.92

LogP / Solubility

WLOGP
10.35
MLOGP
9.15
XLogP3
10.35
Consensus LogP
9.95
Log S (ESOL)
-7.89
Class (ESOL)
Insoluble
Log S (Ali)
-11.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.16
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)
1.31

Drug-likeness / Medicinal Chemistry

Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (14.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P264+P265, P280, P305+P351+P338, and P337+P317

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