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CAS 136-53-8 Ethylhexanoic acid zinc salt molecular structure lightbox
CAS RN: 136-53-8

Ethylhexanoic acid zinc salt

Product Availability

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4 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250915 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250501 1kg In stock Shanghai, Tianjin Inquiry
Batchno.20250306 25g In stock Shanghai, Shenzhen, Tianjin Inquiry
Batchno.20250503 500g In stock Shanghai, Tianjin Inquiry
  • Product code: starshine_CAS136-53-8
  • Purity/Analytical Methods: >99.0%
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136-53-8 / zinc bis(2-ethylhexanoate)

Standard CAS: 136-53-8 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
136-53-8
Multi CAS
No
Molecular Formula
C16H30O4Zn
Molecular Weight
351.800000
Exact Mass
350.143551
SMILES
CCCCC(CC)C(=O)[O-].CCCCC(CC)C(=O)[O-].[Zn+2]
InChI
InChI=1S/2C8H16O2.Zn/c2*1-3-5-6-7(4-2)8(9)10;/h2*7H,3-6H2,1-2H3,(H,9,10);/q;;+2/p-2
InChIKey
IFNXAMCERSVZCV-UHFFFAOYSA-L

Physical Properties

Physical Description
Liquid; Pellets or Large Crystals Yellow liquid
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
21
Fraction Csp3
0.88
Rotatable bonds
10
H-bond acceptors
4
Molar refractivity
76.63
TPSA
80.26

LogP / Solubility

WLOGP
1.9
MLOGP
1.69
XLogP3
1.9
Consensus LogP
1.83
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.82
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.73
Class (SILICOS-IT)
Slightly 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)
-3.51

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

Safety & Transport

Pictogram(s)
Flammable Irritant Health Hazard Environmental Hazard
Signal
Warning
GHS Hazard Statements
H226 (14%): Flammable liquid and vapor [Warning Flammable liquids] H302 (13.8%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (19.8%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (13.8%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (79.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement Codes
P203, P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P272, P273, P280, P301+P317, P302+P352, P303+P361+P353, P305+P351+P338, P318, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P391, P403+P235, P405, and P501

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