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CAS 1592-23-0 Calcium Stearate molecular structure lightbox
CAS RN: 1592-23-0

Calcium Stearate

  • Product code: SSC-067221
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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: 100g
  • 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 1592-23-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥97% 0 Out of Stock Beijing Inquiry

1592-23-0 / calcium bis(octadecanoate)

Standard CAS: 1592-23-0 Multi CAS: No
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
1592-23-0
Multi CAS
No
Molecular Formula
C36H70CaO4
Molecular Weight
607.000000
Exact Mass
606.490002
SMILES
CCCCCCCCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCCCCCCCC(=O)[O-].[Ca+2]
InChI
InChI=1S/2C18H36O2.Ca/c2*1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;/h2*2-17H2,1H3,(H,19,20);/q;;+2/p-2
InChIKey
CJZGTCYPCWQAJB-UHFFFAOYSA-L

Physical Properties

Melting Point
Melting point equals 217 ° F 179 °C
Density
1.12 1.12 g/cm³
Physical Description
Pellets or Large Crystals, Liquid, Other Solid; Pellets or Large Crystals; Pellets or Large Crystals, Liquid; Dry Powder, Pellets or Large Crystals; Water or Solvent Wet Solid; Dry Powder; Liquid; Dry Powder, Water or Solvent Wet Solid; Other Solid White powder; [Sax] WHITE POWDER.
Appearance
CRYSTALLINE POWDER Granular, fatty powder FINE, WHITE TO YELLOWISH WHITE, BULKY POWDER
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
41
Fraction Csp3
0.94
Rotatable bonds
32
H-bond acceptors
4
Molar refractivity
174.86
TPSA
80.26

LogP / Solubility

WLOGP
9.61
MLOGP
8.51
XLogP3
9.61
Consensus LogP
9.24
Log S (ESOL)
-7.55
Class (ESOL)
Insoluble
Log S (Ali)
-11.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-15.43
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)
0.4

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
4

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H319 (14.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (14.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264+P265, P271, P280, P304+P340, P305+P351+P338, P319, P337+P317, P403+P233, P405, and P501

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