InChI=1/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1

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Inherent Properties, Identifiers and References

ChemSpider ID:	10305
Empirical Formula:	C₇H₅NaO₂
Molecular Weight:	144.1032
Nominal Mass:	144 Da
Average Mass:	144.1032 Da
Monoisotopic Mass:	144.018724 Da

Systematic Name:

sodium benzoate

SMILES:

[Na+].[O-]C(=O)c1ccccc1

InChI:

InChI=1/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1

InChIKey:

WXMKPNITSTVMEF-REWHXWOFAY

Std. InChI:

InChI=1S/C7H6O2.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1

Std. InChIKey:

WXMKPNITSTVMEF-UHFFFAOYSA-M

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Wikipedia Article(s)

Sodium benzoate (E211) has the chemical formula NaC₆H₅CO₂. It is the sodium salt of benzoic acid and exists in this form when dissolved in water. It can be produced by reacting sodium hydroxide with benzoic acid. Read more... or Edit at Wikipedia...

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Supplemental Information

User Data

experimental physchem properties

Melting Point: >300

The melting point of a crystalline solid is the temperature range at which it changes state from solid to liquid. See also: Melting Point

Solubility: Soluble in water, alcohol

No description available

miscellaneous

Safety: WARNING: Irreversible damage risk, protect skin/eyes/lungs.

See Chemical Safety

Names and Synonyms

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

benzoate de sodium

benzoic acid, sodium salt (1:1)

Natriumbenzolcarboxylat

Sodium benzoate

sodiumato benzoatato

208-534-8 [EINECS/ELINCS]

532-32-1 [RN]

AMMONUL

Antimol

Benzoan sodny [Czech]

More...

Database ID(s)

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ACD/Labs Predicted Properties

ACD/LogP:	1.90	# of Rule of 5 Violations:	0
ACD/LogD (pH 5.5):	0.58	ACD/LogD (pH 7.4):	-0.98
ACD/BCF (pH 5.5):	1	ACD/BCF (pH 7.4):	1
ACD/KOC (pH 5.5):	12.43	ACD/KOC (pH 7.4):	1
#H bond acceptors:	2	#H bond donors:	1
#Freely Rotating Bonds:	1	Polar Surface Area:	37.3 Å²
Index of Refraction:		Molar Refractivity:	cm³
Molar Volume:	cm³	Polarizability:	10^-24cm³
Surface Tension:	dyne/cm	Density:	g/cm³
Flash Point:	111.4 °C	Enthalpy of Vaporization:	51.4 kJ/mol
Boiling Point:	249.3 °C at 760 mmHg	Vapour Pressure:	0.0122 mmHg at 25°C

MeSH