Calcium sulfate

ChemSpider ID: 22905
Molecular Formula: CaO₄S
Average mass: 136.140594 Da
Monoisotopic mass: 135.914322 Da
Systematic name

Calcium sulfate
SMILES and InChIs

SMILES:

[O-]S(=O)(=O)[O-].[Ca+2] Copied

Std. InChI:

InChI=1S/Ca.H2O4S/c;1-5(2,3)4/h;(H2,1,2,3,4)/q+2;/p-2 Copied

Std. InChIKey:

OSGAYBCDTDRGGQ-UHFFFAOYSA-L Copied
Cite this record
CSID:22905, http://www.chemspider.com/Chemical-Structure.22905.html (accessed 01:59, Apr 25, 2014) Copied

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

Calcium sulfate [ACD/IUPAC Name] [NF] [Wiki]

Anhydrite [Wiki]

Calcium sulfate (1:1)

calcium sulphate

Calciumsulfat [German] [ACD/IUPAC Name]

CaSO4 [Formula]

Drierite [Wiki]

Sulfate de calcium [French] [ACD/IUPAC Name]

Sulfuric acid calcium salt (1:1)

Sulfuric acid, calcium salt

More...

Validated by Experts, Validated by Users, Non-Validated, Removed by Users, Redirected by Users, Redirect Approved by Experts

237132_SIAL [DBID]

238910_SIAL [DBID]

238929_SIAL [DBID]

238937_SIAL [DBID]

238945_ALDRICH [DBID]

238961_SIAL [DBID]

238988_SIAL [DBID]

255696_ALDRICH [DBID]

456071_SIAL [DBID]

A 30 [DBID]

More...

ChemSpider Searches

Properties

Experimental data
Predicted - ACD/Labs
Predicted - ChemAxon

Data supplied by datasources and users.

Experimental Physico-chemical Properties

Experimental Melting Point:

1450 °C Alfa Aesar

1450 °C Oxford University Chemical Safety Data http://msds.chem.ox.ac.uk/CA/calcium_sulfate_anhydrous.html

1450 °C Alfa Aesar 11116, 40144

Experimental Vapor Pressure:

0 mmHg (Approximate) NIOSH WS6920000
Experimental Gravity:

2.96 g/mL Alfa Aesar 11116, 40144
Experimental Solubility:

0.3% NIOSH WS6920000

Miscellaneous

Appearance:

Odorless, white powder or colorless, crystalline solid. [Note: May have blue, gray, or reddish tinge.] NIOSH WS6920000

white powder or granules Oxford University Chemical Safety Data http://msds.chem.ox.ac.uk/CA/calcium_sulfate_anhydrous.html

Stability:

Stable. Incompatible with aluminium, strong acids. Oxford University Chemical Safety Data http://msds.chem.ox.ac.uk/CA/calcium_sulfate_anhydrous.html

Safety:

26-37-60 Alfa Aesar 11116, 40144

36/38 Alfa Aesar 11116, 40144

49-42/43-52/53 Alfa Aesar 43056, 43057, 43058, 43063, 43064, 43065, 89750, 89751

53-22-45-60-61 Alfa Aesar 43056, 43057, 43058, 43063, 43064, 43065, 89750, 89751

CAUTION: May irritate eyes, respiratory tract Alfa Aesar 11116

Minimise contact. Oxford University Chemical Safety Data http://msds.chem.ox.ac.uk/CA/calcium_sulfate_anhydrous.html

WARNING: Irritates lungs, eyes, skin Alfa Aesar 40144

WARNING: Irritates skin and eyes Alfa Aesar 43056, 43057, 43058, 43060, 43063, 43064, 43065, 89750, 89751

First-Aid:

Eye: Irrigate immediately Skin: Soap wash Breathing: Fresh air NIOSH WS6920000
Exposure Routes:

inhalation, skin and/or eye contact NIOSH WS6920000

Symptoms:

Irritation eyes, skin, upper respiratory system; conjunctivitis; rhinitis, epistaxis (nosebleed) NIOSH WS6920000

Target Organs:

Eyes, skin, respiratory system NIOSH WS6920000

Incompatibility:

Diazomethane, aluminum, phosphorus, water [Note: Hygroscopic (i.e., absorbs moisture from the air). Reacts with water to form Gypsum & Plaster of Paris.] NIOSH WS6920000

Personal Protection:

Skin: No recommendation Eyes: No recommendation Wash skin: No recommendation Remove: No recommendation Change: No recommendation NIOSH WS6920000

Exposure Limits:

NIOSH REL : TWA 10 mg/m 3 (total) TWA 5 mg/m 3 (resp) OSHA PEL : TWA 15 mg/m 3 (total) TWA 5 mg/m 3 (resp) NIOSH WS6920000

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

ACD/LogP:		# of Rule of 5 Violations:
ACD/LogD (pH 5.5):		ACD/LogD (pH 7.4):
ACD/BCF (pH 5.5):		ACD/BCF (pH 7.4):
ACD/KOC (pH 5.5):		ACD/KOC (pH 7.4):
#H bond acceptors:		#H bond donors:
#Freely Rotating Bonds:		Polar Surface Area:	Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	°C	Enthalpy of Vaporization:	kJ/mol
Boiling Point:	°C at 760 mmHg	Vapour Pressure:	mmHg at 25°C

Click to predict properties on the Chemicalize site

Patents	Personal Collections
Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library

Want to comment
on this record?

Calcium sulfate

SMILES:

Std. InChI:

Std. InChIKey:

Names and Identifiers

ChemSpider Searches

Search ChemSpider for:

Search external sites for this structure:

Properties

Spectra

CIFs

Articles

Chemical Vendors

Data Sources

Wikipedia Article(s)

Patents

RSC Databases

Medical Subject Headings Classification

Pharmacological Links

Curation

Want to commenton this record?

Calcium sulfate

SMILES:

Std. InChI:

Std. InChIKey:

Search ChemSpider for:

Search external sites for this structure:

Want to comment
on this record?