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CAS 5593-70-4 Tetrabutyl Orthotitanate molecular structure lightbox
CAS RN: 5593-70-4

Tetrabutyl Orthotitanate

Product Availability

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2 package records2 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20251219 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260309 500g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-163879
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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: 500g
  • 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 5593-70-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
500g ＞97% 0 Out of Stock Hong Kong Inquiry

5593-70-4 / tetrakis(butan-1-olate);titanium(4+)

Standard CAS: 5593-70-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
5593-70-4
Multi CAS
Yes
Molecular Formula
C16H36O4Ti
Molecular Weight
340.320000
Exact Mass
340.209300
InChI
InChI=1S/4C4H9O.Ti/c4*1-2-3-4-5;/h4*2-4H2,1H3;/q4*-1;+4
InChIKey
YHWCPXVTRSHPNY-UHFFFAOYSA-N

Physical Properties

Melting Point
-67 °F (USCG, 1999) -55 °C
Boiling Point
593 °F at 760 mmHg (USCG, 1999) 312 °C
Density
0.998 at 77 °F (USCG, 1999) - Less dense than water; will float 0.998 @ 25 °C (liquid)
Physical Description
Tetrabutyl titanate appears as a water-white to pale-yellow liquid with an alcohol-like odor. About the same density as water. Flash point 170 °F. Contact may irritate or cause burns. Liquid; Water or Solvent Wet Solid; Other Solid Colorless to pale yellow liquid with a mild odor of alcohol; [HSDB] Clear liquid with an odor of alcohol
Appearance
COLORLESS TO LIGHT-YELLOW LIQUID Pale yellow, viscous liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
1
Rotatable bonds
8
H-bond acceptors
4
Molar refractivity
79.1
TPSA
92.24

LogP / Solubility

WLOGP
0.58
MLOGP
0.53
XLogP3
0.58
Consensus LogP
0.56
Log S (ESOL)
-1.79
Class (ESOL)
Soluble
Log S (Ali)
-2.77
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.38

Drug-likeness / Medicinal Chemistry

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

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