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CAS 10034-76-1 Calcium sulfate hemihydrate molecular structure lightbox
CAS RN: 10034-76-1

Calcium sulfate hemihydrate

  • Product code: SSC-000846
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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: 1000g
  • 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 10034-76-1
Pack Size Recorded Purity Available Qty Ship From Inquiry
1000g ＞97% 0 Out of Stock Hong Kong Inquiry

10034-76-1 / dicalcium;disulfate;hydrate

Calcium Sulfate Hydrate | SCHEMBL57771 | ZHZFKLKREFECML-UHFFFAOYSA-L

Standard CAS: 10034-76-1 Multi CAS: Yes
Basic Information Physical Properties Computed Properties Safety & Transport

Basic Information

CAS
10034-76-1
Multi CAS
Yes
Molecular Formula
Ca2H2O9S2
Molecular Weight
290.300000
Exact Mass
289.839206
SMILES
O.[O-]S(=O)(=O)[O-].[O-]S(=O)(=O)[O-].[Ca+2].[Ca+2]
InChI
InChI=1S/2Ca.2H2O4S.H2O/c;;2*1-5(2,3)4;/h;;2*(H2,1,2,3,4);1H2/q2*+2;;;/p-4
InChIKey
ZOMBKNNSYQHRCA-UHFFFAOYSA-J
Synonyms
Calcium Sulfate Hydrate SCHEMBL57771 ZHZFKLKREFECML-UHFFFAOYSA-L AKOS015914676

Physical Properties

Melting Point
325 °F (Loses H2O) (NIOSH, 2024) 163 °C 325 °F (loses H₂O) 325 °F (Loses H2O)
Density
2.5 (NIOSH, 2024) - Denser than water; will sink Density (for the alpha hemihydrate): 2.76 g/cm³ 2.5
Physical Description
Plaster of paris appears as white or yellowish, finely divided, odorless powder consisting mostly or entirely of calcium sulfate hemihydrate, CaSO4*1/2H2O. Forms a paste when it is mixed with water that soon hardens into a solid. Used in making casts, molds, and sculpture. Generally non-toxic. White or yellowish, finely divided, odorless powder; [NIOSH] FINE HYGROSCOPIC WHITE POWDER. White or yellowish, finely divided, odorless powder.
State
Solid

Computed Properties

Structural Parameters

Heavy atom count
13
H-bond acceptors
8
H-bond donors
1
Molar refractivity
36.07
TPSA
192.02

LogP / Solubility

WLOGP
-4.26
MLOGP
-3.74
XLogP3
-4.26
Consensus LogP
-4.09
Log S (ESOL)
1.05
Class (ESOL)
Highly soluble
Log S (Ali)
1.14
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.99
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)
-7.52

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 75 of 75 companies. For more detailed information, please visit ECHA C&L website. Reported as not meeting GHS hazard criteria by 39 of 39 companies. For more detailed information, please visit ECHA C&L website. H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P271, P304+P340, P319, P403+P233, P405, and P501

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