Calcium chloride

Athanor · official

CaCl₂ · 110.98 g/mol

IUPAC name: calcium dichloride

Also called E509, road salt

Inorganic

Open in Athanor

Drawn from its SMILES with RDKit

WarningCauses serious eye irritation

Names and identifiers

IUPAC name: calcium dichloride
Synonyms: E509, road salt, Calcium dichloride
+ 37 more
Calcium chloride anhydrous, CaCl2, Dowflake, Liquidow, Peladow, Bovikalc, Calcium chloride (CaCl2), Calcium Chloride, Anhydrous, Intergravin-orales, Uramine MC, Cacl2 (anhydrous), Calcium(2+) chloride, DTXSID5020235, Calcarea muriatica, CHEBI:3312, INS NO.509, INS-509, NSC-759598, DTXCID30235, OFM21057LP, E-509, Calcium Choride, RefChem:5633, CALCIUM CHLORIDE 10%, 233-140-8, 600-075-5, Cal Plus, Calcium chloride (anhydrous), Calcium chloride 10% in plastic container, Calcosan, Calplus, Caltac, Kalgan, M4I0D6VV5M, MultiBic component calcium chloride dihydrate, Snomelt, Superflake anhydrous
Molecular formula: CaCl₂
Empirical formula: CaCl₂
Molecular weight: 110.98 g/mol
Exact mass: 109.90030
CAS number: 10043-52-4
PubChem CID: 5284359
Canonical SMILES: [Cl-].[Cl-].[Ca+2]
Isomeric SMILES: [Cl-].[Cl-].[Ca+2]
InChI: InChI=1S/Ca.2ClH/h;2*1H/q+2;;/p-2
InChIKey: UXVMQQNJUSDDNG-UHFFFAOYSA-L
Molfile

Names, InChI and the identifiers from PubChem, retrieved 2026-10-14.

Physical properties

TemperaturePressureDensity

Appearance: White .. lumps of flakes[4]
4 values
From Hazardous Substances Data Bank (HSDB), the most authoritative source here.
Value As written Source
– Calcium chloride is a white to off-white solid. Sinks and mixes with water. (USCG, 1999) [1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
– Liquid; Dry Powder; Large Crystals; CBI; Large Crystals; Other Solid; Dry Powder [2] EPA Chemical Data Reporting (CDR)
– ODOURLESS HYGROSCOPIC COLOURLESS OR WHITE CRYSTALS. [3] ILO-WHO International Chemical Safety Cards (ICSCs)
–shown White .. lumps of flakes [4] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 215
Odor: ODORLESS[4]
Melting point: 772 °C[3]
3 values
Sources disagree; from ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative.
Value As written Source
260 °C MP: 260 °C /Calcium chloride monohydrate/ [4] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 215
772 °Cshown 772 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
775 °C 775 °C [5] PAC Chemical Database, U.S. Department of Energy
Boiling point: 1670 °C[3]
2 values
Sources disagree; from ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative.
Value As written Source
1670 °Cshown 1670 °C [3] ILO-WHO International Chemical Safety Cards (ICSCs)
1935 °C 1935 °C @760 [mm Hg] [5] PAC Chemical Database, U.S. Department of Energy
Density: 2.152 @25 °C[5]
2 values
2 of 2 sources agree on it (most common value).
Value As written Source
– 2.15 at 68 °F (USCG, 1999) - Denser than water [1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
–shown 2.152 @25 °C [5] PAC Chemical Database, U.S. Department of Energy
1 more value was reported but failed the checks (unreadable or out of range), so it is not shown.
Solubility in water: Solubility in water, g/100ml at 20 °C: 74.5 (good)[3]
3 values
From ILO-WHO International Chemical Safety Cards (ICSCs), the most authoritative source here.
Value As written Source
– Soluble in methyl carbonate and acetic acid [4] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. V2: 670
– In water, 4.2X10+5 to 5.95X10+5 mg/L at 20 °C [4] Hazardous Substances Data Bank (HSDB)cites Shiu WY et al; Rev Environ Contam Toxicol 116: 15-187 (1990)
–shown Solubility in water, g/100ml at 20 °C: 74.5 (good) [3] ILO-WHO International Chemical Safety Cards (ICSCs)

Value	As written	Source
–	Calcium chloride is a white to off-white solid. Sinks and mixes with water. (USCG, 1999)	[1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
–	Liquid; Dry Powder; Large Crystals; CBI; Large Crystals; Other Solid; Dry Powder	[2] EPA Chemical Data Reporting (CDR)
–	ODOURLESS HYGROSCOPIC COLOURLESS OR WHITE CRYSTALS.	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
–shown	White .. lumps of flakes	[4] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 215

Value	As written	Source
260 °C	MP: 260 °C /Calcium chloride monohydrate/	[4] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr.; Hawley's Condensed Chemical Dictionary 15th Edition. John Wiley & Sons, Inc. New York, NY 2007., p. 215
772 °Cshown	772 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
775 °C	775 °C	[5] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
1670 °Cshown	1670 °C	[3] ILO-WHO International Chemical Safety Cards (ICSCs)
1935 °C	1935 °C @760 [mm Hg]	[5] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
–	2.15 at 68 °F (USCG, 1999) - Denser than water	[1] CAMEO Chemicalscites U.S. Coast Guard. 1999. Chemical Hazard Response Information System (CHRIS) - Hazardous Chemical Data. Commandant Instruction 16465.12C. Washington, D.C.: U.S. Government Printing Office.
–shown	2.152 @25 °C	[5] PAC Chemical Database, U.S. Department of Energy

Value	As written	Source
–	Soluble in methyl carbonate and acetic acid	[4] Hazardous Substances Data Bank (HSDB)cites Lewis, R.J. Sr. (ed) Sax's Dangerous Properties of Industrial Materials. 11th Edition. Wiley-Interscience, Wiley & Sons, Inc. Hoboken, NJ. 2004., p. V2: 670
–	In water, 4.2X10+5 to 5.95X10+5 mg/L at 20 °C	[4] Hazardous Substances Data Bank (HSDB)cites Shiu WY et al; Rev Environ Contam Toxicol 116: 15-187 (1990)
–shown	Solubility in water, g/100ml at 20 °C: 74.5 (good)	[3] ILO-WHO International Chemical Safety Cards (ICSCs)

Each value as its source reports it, with the source's number after it (listed under References). Where several sources report a property, the row shows the value most of them agree on, the rule the app uses; open the values to see every one.

Calculated

Heavy atoms: 3
Rings: 0
Aromatic rings: 0
Fraction sp³ carbons (Fsp3): 0
H-bond donors: 0
H-bond acceptors: 0 computed here · PubChem 2
Rotatable bonds: 0
TPSA (Å²): 0
Formal charge: 0
Complexity: 0 PubChem
Stereocenters: None
Double-bond geometry: None specified
Point group: Kh of one 3D conformer with its hydrogens, by Athanor’s engine (as in the app)

Elemental analysis

Ca36.11%
Cl63.89%

Isotope pattern

Each peak is a nominal mass with its abundance-weighted exact mass, as a percentage of the tallest, from IUPAC natural isotope abundances.

Computed from the structure with RDKit 2026.09 when this page was built, beside PubChem's own computed values from its record; where the two differ, both are shown.

Predicted

log P: -6.37 Crippen (Wildman and Crippen 1999)
log S (water solubility): 3.49 ESOL (Delaney 2004), log mol/L
Synthetic accessibility: 7.69 SA score, 1 easy to 10 hard (Ertl and Schuffenhauer 2009)

Drug-likeness: Lipinski’s rule of five

Molecular weight ≤ 500: 110.98
log P ≤ 5 (Crippen): -6.37
H-bond donors ≤ 5: 0
H-bond acceptors ≤ 10: 0

Passes all four rules.

Predictions, not measurements; each names its method. A measured log P, where a source reports one, is under Physical properties.

Safety

Warning

Harmonized EU classification (CLP Annex VI). Source [6].

Harmful or irritant

H319Causes serious eye irritation

Precautionary statements: P264+P265, P280, P305+P351+P338, P337+P317

View all classifications (3)

[6] Regulation (EC) No 1272/2008 of the European Parliament and of the Council · WarningH319
[7] European Chemicals Agency (ECHA)This chemical does not meet GHS hazard criteria for 0.3% (12 of 3505) of reports.
[7] European Chemicals Agency (ECHA) · 3,505 reports · WarningH319

First aid

Inhalation: Move to fresh air; if discomfort persists, get medical attention. Ingestion: Give large amounts of water. Eyes: Promptly flood with water and continue washing for at least 15 min.; consult an ophthalmologist. Skin: Flush with water. (USCG, 1999)[1]
Fresh air, rest. Refer for medical attention.[3]
Remove contaminated clothes. Rinse skin with plenty of water or shower. Refer immediately for medical attention.[3]
Rinse with plenty of water for several minutes (remove contact lenses if easily possible). Refer immediately for medical attention.[3]

Storage

Separated from zinc. Dry. Well closed.[3]
Storage space should be well ventilated.[4]
Dry bulk calcium chloride can be stored in bins fabricated from most construction-grade steel materials. Care should be taken to minimize moisture. Venting should be limited to times of filling and discharging calcium chloride from the storage bin.[4]
Liquid calcium chloride can be stored in either horizontal or vertical cylindrical tanks constructed of steel. Fiberglass and plastic may also be used within limits of strength and temperature.[4]

Incompatibilities

Exothermic reaction with water.[4]
Reaction with zinc releases explosive hydrogen gas.[4]
Catalyzes exothermic polymerization of methyl vinyl ether.[4]
Bromine trifluouride rapidly attacks ... Calcium chloride ... .[4]

Safety data sheets on the supplier’s page: Thermo Fisher Scientific, Clinivex, BLD Pharm.

Always read the supplier’s safety data sheet before working with it.

Literature

Reading PubChem, OpenAlex and GSRS…

Bioactivity

Reading ChEMBL…

References

[1]CAMEO Chemicals · Public domain (NOAA) · via PubChem · retrieved 2026-10-14
[2]EPA Chemical Data Reporting (CDR) · Public domain (US EPA) · via PubChem · retrieved 2026-10-14
[3]ILO-WHO International Chemical Safety Cards (ICSCs) · CC BY 4.0 · via PubChem · retrieved 2026-10-14
[4]Hazardous Substances Data Bank (HSDB) · Public domain (US NLM) · via PubChem · retrieved 2026-10-14
[5]PAC Chemical Database, U.S. Department of Energy · Public domain (US DOE) · via PubChem · retrieved 2026-10-14
[6]Regulation (EC) No 1272/2008 of the European Parliament and of the Council · EU reuse policy, CC BY 4.0 · via PubChem · retrieved 2026-10-14
[7]European Chemicals Agency (ECHA) · ECHA legal notice: reuse with acknowledgement · via PubChem · retrieved 2026-10-14
·Calculated values: computed by Athanor with RDKit 2026.09 from the structure.
·Literature on PubChem

Data last updated 2026-10-14.