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CAS 1070-10-6 Tetrakis(2-ethylhexyl) Orthotitanate molecular structure lightbox
CAS RN: 1070-10-6

Tetrakis(2-ethylhexyl) Orthotitanate

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260112 100g In stock Shanghai, Shandong, Hebei Inquiry
Batchno.20250609 2.5kg In stock Shanghai, Shandong Inquiry
Batchno.20250113 25g In stock Shanghai, Shandong, Guangdong, Hebei Inquiry
Batchno.20251118 500g In stock Shanghai, Shandong, Guangdong Inquiry
  • Product code: ICTT3682
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1070-10-6 / tetrakis(2-ethylhexan-1-olate);titanium(4+)

Tetrakis(2-ethylhexyl) titanate | 2-Ethylhexyl titanate | 2-Ethylhexyl orthotitanate

Standard CAS: 1070-10-6 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1070-10-6
Multi CAS
Yes
Molecular Formula
C32H68O4Ti
Molecular Weight
564.700000
Exact Mass
564.459701
SMILES
CCCCC(CC)C[O-].CCCCC(CC)C[O-].CCCCC(CC)C[O-].CCCCC(CC)C[O-].[Ti+4]
InChI
InChI=1S/4C8H17O.Ti/c4*1-3-5-6-8(4-2)7-9;/h4*8H,3-7H2,1-2H3;/q4*-1;+4
InChIKey
KTXWGMUMDPYXNN-UHFFFAOYSA-N
Synonyms
Tetrakis(2-ethylhexyl) titanate 2-Ethylhexyl titanate 2-Ethylhexyl orthotitanate 1-Hexanol, 2-ethyl-, titanium(4+) salt Tetra(2-ethylhexyl)titanate

Physical Properties

Physical Description
Liquid Colorless liquid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
37
Fraction Csp3
1
Rotatable bonds
20
H-bond acceptors
4
Molar refractivity
152.69
TPSA
92.24

LogP / Solubility

WLOGP
6.25
MLOGP
5.54
XLogP3
6.25
Consensus LogP
6.01
Log S (ESOL)
-5.96
Class (ESOL)
Slightly soluble
Log S (Ali)
-8.7
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.92
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.73

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (85.8%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (99.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H332 (10.9%): Harmful if inhaled [Warning Acute toxicity, inhalation] H335 (25.2%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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