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CAS 62-54-4 Calcium acetate molecular structure lightbox
CAS RN: 62-54-4

Calcium acetate

  • Product code: SSC-171002
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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: ≥98%
  • 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 62-54-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ≥98% 0 Out of Stock Hong Kong Inquiry

62-54-4 / calcium diacetate

Standard CAS: 62-54-4 Multi CAS: Yes
Basic Information Physical Properties Computed Properties

Basic Information

CAS
62-54-4
Multi CAS
Yes
Molecular Formula
C4H6CAO4
Molecular Weight
158.170000
Exact Mass
157.989200
InChI
InChI=1S/2C2H4O2.Ca/c2*1-2(3)4;/h2*1H3,(H,3,4);/q;;+2/p-2
InChIKey
VSGNNIFQASZAOI-UHFFFAOYSA-L

Physical Properties

Melting Point
> 160 °C
Density
1.50 kg/l 1.5 g/cm³
Physical Description
Liquid; Dry Powder; Other Solid; Pellets or Large Crystals Anhydrous calcium acetate is a white, hygroscopic, bulky, crystalline solid with a slightly bitter taste. A slight odour of acetic acid may be present. The monohydrate may be needles, granules or powder Very hygroscopic solid; Soluble in water; [Merck Index] White to brown solid; [ICSC] Colorless to white crystals with a mild acetic odor; Soluble in water; WHITE-TO-BROWN OR GREY CRYSTALS WITH CHARACTERISTIC ODOUR.
Appearance
COLORLESS CRYSTALS Rod-shaped crystals White, hydrogroscopic, crystalline solid
State
Liquid

Computed Properties

Structural Parameters

Heavy atom count
9
Fraction Csp3
0.5
H-bond acceptors
4
Molar refractivity
27.12
TPSA
80.26

LogP / Solubility

WLOGP
-2.87
MLOGP
-2.53
XLogP3
-2.87
Consensus LogP
-2.76
Log S (ESOL)
0.99
Class (ESOL)
Highly soluble
Log S (Ali)
1.21
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.69
Class (SILICOS-IT)
Highly soluble

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
No
Log Kp (skin permeation)
-5.72

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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