Name: Sodium salicylate
SKU: 54-21-7

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Basic Information

Molecular Structure:
CAS No.:	54-21-7
Name:	Sodium salicylate
Article Data:	22

Formula:	C₇H₅NaO₃
Molecular Weight:	160.105
Synonyms:	Parbocyl-Rev;CLIN;Kerosal;Sodium 2-hydroxybenzoate;Sodium o-hydroxybenzoate;o-Hydroxybenzoic acid, sodium salt;Salsonin (TN);Enterosalil;Diuretin;Entrosalyl;Salicylic acid Na+;Aroall;Sodium salicylic acid;Salsonin;Nadisal;Magsalyl;Salisod;Benzoic acid, 2-hydroxy-, monosodium salt;Salicylic acid, sodium salt;Kerasalicyl;Alysine;Sodium salicylate (NaO3C7H5);Neo-Salicyl;Salicylic acid, monosodium salt;Benzoic acid,2-hydroxy-,compounds,monosodium salt;Sodium salicylate (JP14/USP);Monosodium salicylate;Glutosalyl;o-Hydroxybenzoic sodium salt;Salicylate, sodium;
EINECS:	200-198-0
Density:	0.32 g/cm3 (20℃)
Melting Point:	200 °C
Boiling Point:	336.3 °C at 760 mmHg
Flash Point:	144.5 °C
Solubility:	1000 g/L (20 ℃)
Appearance:	white crystals
Hazard Symbols:	Xi, Xn
Risk Codes:	22-41-36/37/38
Safety:	26-36
PSA:	60.36000
LogP:	-0.24430

Synthetic route

: 124-38-9
carbon dioxide

: 139-02-6
sodium phenoxide

A: 54-21-7
sodium salicylate

B: 114-63-6
sodium 4-hydroxybenzoate

Conditions

Conditions	Yield
With Triethylene glycol dimethyl ether at 80℃; for 10h; Product distribution; var. polyethers;	A 80% B 20%
at 119.84℃; under 60006 Torr; for 1h; Product distribution; Further Variations:; Pressures; N2 content; Kolbe-Schmitt reaction;

...Expand

: 17264-78-7
sodium 2-methoxybenzoate

: 54-21-7
sodium salicylate

Conditions

Conditions	Yield
With piperazine In N,N-dimethyl acetamide at 150℃; for 24h; Substitution; Demethylation;	12%

: 102-09-0
bis(phenyl) carbonate

: 141-52-6
sodium ethanolate

A: 54-21-7
sodium salicylate

B: 103-73-1
Phenetole

Conditions

Conditions	Yield
beim Destillieren;

...Expand

: 3878-46-4
ethyl phenyl carbonate

: 139-02-6
sodium phenoxide

A: 54-21-7
sodium salicylate

B: 103-73-1
Phenetole

Conditions

Conditions	Yield
at 200℃;

...Expand

: carbonic acid ethyl ester-(2-isopropyl-5-methyl-phenyl ester)

: 139-02-6
sodium phenoxide

A: 89-83-8
thymol

B: 54-21-7
sodium salicylate

C: 103-73-1
Phenetole

Conditions

Conditions	Yield
at 200℃;

...Expand

: 532-32-1
sodium benzoate

A: 7720-19-6
m-hydroxybenzoic acid sodium salt

B: 54-21-7
sodium salicylate

C: 114-63-6
sodium 4-hydroxybenzoate

Conditions

Conditions	Yield
With phosphate buffer; Saline; 2-Deoxy-D-ribose; dinitrogen monoxide at 20 - 25℃; for 1h; Irradiation; var. OH scavengers;

...Expand

: C7H4(2)HO3(1-)*Na(1+)

: 54-21-7
sodium salicylate

Conditions

Conditions	Yield
With water-d2 In water at 34.9℃; Equilibrium constant;

: 532-32-1
sodium benzoate

: 54-21-7
sodium salicylate

Conditions

Conditions	Yield
With sulphapyridine; water Rate constant; Irradiation; also 5-, 4-, and 3-aminosalicylic acids;

: 69-72-7
salicylic acid

: 54-21-7
sodium salicylate

Conditions

Conditions	Yield
With KU-2(Na) Equilibrium constant; exchange equilibrium constant;
With sodium hydroxide In ethanol at 20℃;

: 102-09-0
bis(phenyl) carbonate

sodium hydroxide: sodium hydroxide

A: 54-21-7
sodium salicylate

B: 108-95-2
phenol

Conditions

Conditions	Yield
beim Destillieren;

...Expand

Raw Materials

85531-25-5

17264-78-7

3878-46-4

139-02-6

102-09-0

124-38-9

141-52-6

532-32-1

Downstream Products

69-72-7

552-94-3

606-45-1

100-66-3

947-84-2

65-85-0

119-36-8

100-09-4

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Consensus Reports

Reported in EPA TSCA Inventory.

Specification

The Sodium salicylate, with the CAS registry number 54-21-7, is a kind of white powder. This is easily soluble in water(1：0.8，25℃) and glycerol while insoluble in ether, chloroform and benzene. Being stable chemically while incompatible with mineral acids and metallic salts, this chemical is light-sensitive.

The physical properties of Sodium salicylate are as follows: (1)ACD/LogP: 2.06; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.93; (4)ACD/LogD (pH 7.4): -1.09; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 46.53; (13)Flash Point: 144.5 °C; (14)Enthalpy of Vaporization: 61.16 kJ/mol; (15)Boiling Point: 336.3 °C at 760 mmHg; (16)Vapour Pressure: 4.45E-05 mmHg at 25°C; (17)Exact Mass: 160.013639; (18)MonoIsotopic Mass: 160.013639; (19)Topological Polar Surface Area: 60.4; (20)Heavy Atom Count: 11; (21)Complexity: 138.

The production method of Sodium salicylate: Add salicylic acid and sodium bicarbonate into the distilled water with the temperature of 60℃, and then add EDTA and sodium hydrosulfite with defined amount; Next heat it to 85℃ and react for about half an hour; Lastly filter the qualified reaction liquid into the fluidized bed and then dry to 85℃ to get this product.

As to its usage, it is widely applied in many ways. It could be used in organic synthetic materials, antiseptic, the reagent testing the gastric acid in the free agents; It could also be used as the drug with the function of being antifebrile and anti-rheumatic. In addition, it is also a potential replacement for aspirin for people sensitive to it.

When you are dealing with Sodium salicylate , you should be much more cautious. For one thing, it is irritant to eyes, respiratory system and skin, which may also cause inflammation to the skin or other mucous membranes. For another thing, it is harmful which may cause damage to health and it may have risk of serious damage to eyes. Therefore, you should wear suitable protective clothing. If in case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

In addition, you could convert the following datas into the molecular structure:
(1)Canonical SMILES: C1=CC=C(C(=C1)C(=O)[O-])O.[Na+]
(2)InChI: InChI=1S/C7H6O3.Na/c8-6-4-2-1-3-5(6)7(9)10;/h1-4,8H,(H,9,10);/q;+1/p-1
(3)InChIKey: ABBQHOQBGMUPJH-UHFFFAOYSA-M

Below are the toxicity information of Sodium salicylate:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
child	TDLo	multiple routes	2970mg/kg/13D (2970mg/kg)	BEHAVIORAL: EXCITEMENT GASTROINTESTINAL: NAUSEA OR VOMITING	American Journal of Diseases of Children. Vol. 69, Pg. 37, 1945.
dog	LD50	intravenous	562mg/kg (562mg/kg)	BEHAVIORAL: ANALGESIA	Archives Internationales de Pharmacodynamie et de Therapie. Vol. 149, Pg. 571, 1964.
dog	LDLo	intraperitoneal	990mg/kg (990mg/kg)		"Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1392, 1935.
dog	LDLo	oral	450mg/kg (450mg/kg)		"Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1392, 1935.
dog	LDLo	subcutaneous	200mg/kg (200mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: DYSPNEA LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES	Revue Medicale de la Suisse Romande. Vol. 15, Pg. 561, 1895.
frog	LDLo	subcutaneous	250mg/kg (250mg/kg)		"Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1392, 1935.
guinea pig	LDLo	intraperitoneal	900mg/kg (900mg/kg)		"Abdernalden's Handbuch der Biologischen Arbeitsmethoden." Vol. 4, Pg. 1392, 1935.
guinea pig	LDLo	subcutaneous	800mg/kg (800mg/kg)	CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION) BEHAVIORAL: EXCITEMENT LUNGS, THORAX, OR RESPIRATION: DYSPNEA	Revue Medicale de la Suisse Romande. Vol. 15, Pg. 561, 1895.
human	LDLo	oral	700mg/kg (700mg/kg)	BEHAVIORAL: EXCITEMENT BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA	New England Journal of Medicine. Vol. 232, Pg. 617, 1945.
mouse	LD50	intramuscular	760mg/kg (760mg/kg)		Acta Paediatrica Scandinavica. Vol. 59, Pg. 517, 1970.
mouse	LD50	intraperitoneal	500mg/kg (500mg/kg)		Strahlentherapie. Vol. 127, Pg. 245, 1965.
mouse	LD50	intravenous	500mg/kg (500mg/kg)		British Patent Document. Vol. #1009195,
mouse	LD50	oral	540mg/kg (540mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 5, Pg. 572, 1955.
mouse	LD50	subcutaneous	550mg/kg (550mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 8, Pg. 25, 1958.
rabbit	LD50	intravenous	415mg/kg (415mg/kg)		Kiso to Rinsho. Clinical Report. Vol. 13, Pg. 791, 1979.
rabbit	LD50	oral	1700mg/kg (1700mg/kg)		Journal of Pharmacology and Experimental Therapeutics. Vol. 89, Pg. 205, 1947.
rat	LD50	intraperitoneal	542mg/kg (542mg/kg)		Kiso to Rinsho. Clinical Report. Vol. 13, Pg. 791, 1979.
rat	LD50	oral	930mg/kg (930mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: MUSCLE CONTRACTION OR SPASTICITY)	Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. Vol. 36(1-4), Pg. 10, 1989.
women	TDLo	unreported	1400mg/kg (1400mg/kg)	BEHAVIORAL: TOXIC PSYCHOSIS LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION SKIN AND APPENDAGES (SKIN): SWEATING: OTHER	JAMA, Journal of the American Medical Association. Vol. 126, Pg. 806, 1944.

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Consensus Reports

Specification