CAS No.50-78-2,Acetylsalicylic acid Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	50-78-2
Name:	Acetylsalicylic acid
Article Data:	154
Cas Database

Formula:	C₉H₈O₄
Molecular Weight:	180.16
Synonyms:	Rhodine(7CI);Salicylic acid acetate (8CI);2-(Acetyloxy)benzoic acid;AC 5230;Acetophen;Acetysal;Acimetten;Acisal;Saletin;Solpyron;Supac;Temperal;Toldex;Trombyl;Yasta;o-(Acetyloxy)benzoic acid;Acetyl Salicylic Acid;Adiro;Asaflow;Asagran;Asatard;Ascoden 30;Ascriptin;Aspalon;Aspirdrops;Aspirin;Aspirin Protect 300;Aspirin-Direkt;Aspro;Aspropharm;Astrix;Benaspir;Bialpirinia;Caprin;Coricidin D;Dolean pH 8;Easprin;Ecotrin;Endosprin;Entericin;Ewin;Extren;Gelprin;
EINECS:	200-064-1
Density:	1.35
Melting Point:	134-136 °C(lit.)
Boiling Point:	321.4 °C at 760 mmHg
Flash Point:	131.1 °C
Solubility:	water: 3.3 g/L (20 °C)
Appearance:	white solid
Hazard Symbols:	Xn
Risk Codes:	22-36/37/38
Safety:	26-36/37/39
Transport Information:	UN 1851
PSA:	63.60000
LogP:	1.31010

Synthetic route

: 108-24-7
acetic anhydride

: 69-72-7
salicylic acid

: 50-78-2
aspirin

Conditions

Conditions	Yield
In neat (no solvent) Molecular sieve; Microwave irradiation; Green chemistry;	100%
With erbium(III) chloride for 0.2h; Heating;	99%
With SO42-/ZrO2*graphene oxide solid super acid catalyst at 70℃; for 5h; Reagent/catalyst; Green chemistry;	97.1%

: 302353-24-8
methylene-benzo[1,3]dioxin-4-one

: 50-78-2
aspirin

Conditions

Conditions	Yield
With water at 25℃; for 1h; pH=7;	100%

: 64-19-7
acetic acid

: 69-72-7
salicylic acid

: 50-78-2
aspirin

Conditions

Conditions	Yield
at 80 - 90℃;	95%
With sulfuric acid at 70℃; for 5h; Reagent/catalyst;	95.7%

: 2-thioacetoxy-benzoic acid

: 50-78-2
aspirin

Conditions

Conditions	Yield
With thionyl chloride; dihydrogen peroxide In ethanol at 25℃; for 0.0166667h;	95%
With chloro-trimethyl-silane; dihydrogen peroxide In ethanol; water at 25℃; for 0.0666667h; regioselective reaction;	88%
With Oxone for 0.583333h;	58%

: 75-36-5
acetyl chloride

: 69-72-7
salicylic acid

: 50-78-2
aspirin

Conditions

Conditions	Yield
With triethylamine In dichloromethane at 0 - 20℃;	86%
With pyridine; sulfuric acid Cooling with ice;	59.23%

: methoxymethyl 2-acetoxybenzoate

: 50-78-2
aspirin

Conditions

Conditions	Yield
With bismuth(III) chloride; water In acetonitrile at 50℃; for 1h;	85%

: 533-18-6
2-methylphenyl acetate

: 50-78-2
aspirin

Conditions

Conditions	Yield
With zinc(II) oxide In N,N-dimethyl-formamide for 0.15h; microwave irradiation;	80%
With potassium permanganate; benzyl(triethyl)ammoniumpermanganate In acetic acid at 30℃; for 72h;	24%
With 2,2'-azobis(isobutyronitrile); oxygen; 1N,3N,5N-trihydroxy-1,3,5-triazin-2,4,6[1H,3H,5H]-trione; cobalt(II) acetate; manganese(II) acetate In acetic acid at 150℃; under 760 Torr; for 14h;	9%

: 85515-88-4
C16H16N2O5S

: 50-78-2
aspirin

Conditions

Conditions	Yield
With copper dichloride In tetrahydrofuran; water for 24h; Ambient temperature;	80%

: 108-24-7
acetic anhydride

: 15402-17-2
4'-Methoxy-flavyliumchlorid

A: 100-09-4
4-methoxybenzoic acid

B: 50-78-2
aspirin

Conditions

Conditions	Yield
With ruthenium(IV) oxide; sodium periodate 1) 5 h, room temp., pyridine; 2) acetic ester, water, 20 min : decomposition reaction;	A 79% B 52%
With ruthenium(IV) oxide; sodium periodate 1) 5 h, room temp., pyridine; 2) water, acetic ester, 20 min; Yield given. Multistep reaction. Yields of byproduct given;

...Expand

: 925681-78-3
O-acetylsalicylic acid acid 2-oxo-1,2,2-triphenylethyl ester

A: 201-68-3
13-oxa-indeno[1,2-l]phenanthrene

B: 50-78-2
aspirin

Conditions

Conditions	Yield
With air In ethanol; acetonitrile Irradiation;	A n/a B 79%

Raw Materials

580-02-9

76432-30-9

75-36-5

64-19-7

542-10-9

5538-51-2

869-29-4

134-55-4

Downstream Products

147249-33-0

203065-55-8

122-79-2

81674-79-5

88-75-5

573-56-8

56341-31-2

52602-18-3

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Chemistry

IUPAC Name: 2-Acetyloxybenzoic acid
Canonical SMILES: CC(=O)OC1=CC=CC=C1C(=O)O
InChI: InChI=1S/C9H8O4/c1-6(10)13-8-5-3-2-4-7(8)9(11)12/h2-5H,1H3,(H,11,12)
Molecular Formula: C₉H₈O₄
Molecular Weight: 180.16 g/mol
EINECS: 200-064-1
Classification Code: Analgesic; Analgesics; Analgesics, Non-Narcotic; Anti-Inflammatory Agents; Anti-inflammatory agents, non-steroidal; Antipyretic; Antirheumatic; Antirheumatic Agents; Cardiovascular Agents; Cyclooxygenase inhibitors; Drug / Therapeutic Agent; Enzyme Inhibitors; Fibrin Modulating Agents; Fibrinolytic agents; Hematologic Agents; Human Data; Mutation data; Peripheral Nervous System Agents; Platelet aggregation inhibitors; Reproductive Effect; Sensory System Agents
Stability: Stable. Keep dry. Incompatible with strong oxidizing agents, strong bases, strong acids, various other compounds such as iodides, iron salts, quinine salts, etc.
storage temp.: Store at RT.
solubility: H₂O: 10 mg/mL at 37 °C
Water Solubility: 3.3 g/L (20 °C)
Melting Point: 134-136 °C(lit.)
Index of Refraction: 1.55
Molar Refractivity: 44.52 cm³
Molar Volume: 139.5 cm³
Surface Tension: 49.8 dyne/cm
Density: 1.29 g/cm³
Flash Point: 131.2 °C
Enthalpy of Vaporization: 59.45 kJ/mol
Boiling Point: 321.4 °C at 760 mmHg
Vapour Pressure of Aspirin (CAS NO.50-78-2): 0.000124 mmHg at 25 °C

History

Medicines containing derivatives of salicylic acid, structurally similar to aspirin, have been in medical use long long ago. Salicylate-rich willow bark extract became recognized for its specific effects on fever, pain and inflammation in the mid-eighteenth century. By the nineteenth century pharmacists were experimenting with and prescribing a variety of chemicals related to salicylic acid, the active component of willow extract.
French chemist Charles Frederic Gerhardt was the first to prepare acetylsalicylic acid in 1853,he mixed acetyl chloride with a sodium salt of salicylic acid ,during his work on the synthesis and properties of various acid anhydrides.A reaction ensued,the resulting melt solidified quickly.So the compound was called "salicylic-acetic anhydride" by Gerhardt. But he did not pursue it further. In 1859, Von Gilm obtained analytically pure acetylsalicylic acid. In 1897,Bayer began selling aspirin around the world.

Uses

Aspirin (CAS NO.50-78-2) is one of the most frequently used drugs in the treatment of mild to moderate pain, including that of migraines and fever.It is often combined with other non-steroidal anti-inflammatory drugs and opioid analgesics in the treatment of moderate to severe pain.In high doses, aspirin and other salicylates are used in the treatment of rheumatic fever, rheumatic arthritis, and other inflammatory joint conditions. In lower doses, aspirin (or its equivalents, e.g., carbasalate calcium) also inhibits platelet aggregation, and has been shown to reduce the incidence of transient ischemic attacks and unstable angina in men, and can be used prophylactically. It is also used in the treatment of pericarditis, coronary artery disease, and acute myocardial infarction.Low doses of aspirin are also recommended for the prevention of stroke, and myocardial infarction in patients with diagnosed cardiovascular disease. It is of no value in people without proven heart disease.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
child	LDLo	oral	104mg/kg (104mg/kg)	LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA GASTROINTESTINAL: NAUSEA OR VOMITING BLOOD: HEMORRHAGE	Lancet. Vol. 2, Pg. 809, 1952.
child	TDLo	oral	10mg/kg/1D-I (10mg/kg)	LUNGS, THORAX, OR RESPIRATION: ACUTE PULMONARY EDEMA KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)" KIDNEY, URETER, AND BLADDER: URINE VOLUME DECREASED	Clinical Toxicology. Vol. 18, Pg. 247, 1981.
child	TDLo	oral	39mg/kg/13D-I (39mg/kg)	LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), DIFFUSE"	American Journal of Diseases of Children. Vol. 139, Pg. 453, 1985.
dog	LD50	intravenous	681mg/kg (681mg/kg)	BEHAVIORAL: ANALGESIA	Archives Internationales de Pharmacodynamie et de Therapie. Vol. 149, Pg. 571, 1964.
dog	LD50	oral	700mg/kg (700mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION	Arzneimittel-Forschung. Drug Research. Vol. 21, Pg. 719, 1971.
guinea pig	LD50	oral	1075mg/kg (1075mg/kg)	BEHAVIORAL: ALTERED SLEEP TIME (INCLUDING CHANGE IN RIGHTING REFLEX) BEHAVIORAL: TREMOR BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)	Journal of the American Pharmaceutical Association, Scientific Edition. Vol. 47, Pg. 479, 1958.
hamster	LD50	oral	3500mg/kg (3500mg/kg)		Archives of Toxicology, Supplement. Vol. 7, Pg. 365, 1984.
human	TDLo	oral	480mg/kg/7D-I (480mg/kg)	SENSE ORGANS AND SPECIAL SENSES: TINNITUS: EAR BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) GASTROINTESTINAL: OTHER CHANGES	Arzneimittel-Forschung. Drug Research. Vol. 25, Pg. 281, 1975.
human	TDLo	oral	669mg/kg/11D (669mg/kg)	LIVER: LIVER FUNCTION TESTS IMPAIRED	American Journal of Hospital Pharmacy. Vol. 35, Pg. 330, 1978.
human	TDLo	oral	1050mg/kg/14D (1050mg/kg)	VASCULAR: OTHER CHANGES	Clinical Pharmacology and Therapeutics Vol. 67, Pg. 530, 2000.
human	TDLo	oral	2880mg/kg/8W (2880mg/kg)	SENSE ORGANS AND SPECIAL SENSES: TINNITUS: EAR GASTROINTESTINAL: NAUSEA OR VOMITING GASTROINTESTINAL: DECREASED MOTILITY OR CONSTIPATION	Arzneimittel-Forschung. Drug Research. Vol. 33, Pg. 631, 1983.
infant	TDLo	oral	120mg/kg (120mg/kg)	LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION KIDNEY, URETER, AND BLADDER: HEMATURIA	British Medical Journal. Vol. 1, Pg. 1081, 1979.
mammal (species unspecified)	LD50	oral	1750mg/kg (1750mg/kg)		Indian Journal of Medical Research. Vol. 81, Pg. 621, 1985.
man	LDLo	unreported	294mg/kg (294mg/kg)		"Poisoning; Toxicology, Symptoms, Treatments," 2nd ed., Arena, J.M., Springfield, IL, C.C. Thomas, 1970Vol. 2, Pg. 73, 1970.
man	TDLo	oral	857mg/kg (857mg/kg)	BEHAVIORAL: COMA LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION	Human Toxicology. Vol. 7, Pg. 161, 1988.
man	TDLo	oral	1625mg/kg (1625mg/kg)	BEHAVIORAL: COMA	Clinical Pediatrics Vol. 24, Pg. 678, 1985.
man	TDLo	oral	13036mg/kg/5Y (13036mg/kg)	GASTROINTESTINAL: OTHER CHANGES MUSCULOSKELETAL: JOINTS SKIN AND APPENDAGES (SKIN): "DERMATITIS, OTHER: AFTER SYSTEMIC EXPOSURE"	Annals of Internal Medicine. Vol. 126, Pg. 665, 1997.
mouse	LD50	intraperitoneal	167mg/kg (167mg/kg)		United States Patent Document. Vol. #4376771,
mouse	LD50	oral	250mg/kg (250mg/kg)		Arzneimittel-Forschung. Drug Research. Vol. 5, Pg. 572, 1955.
mouse	LD50	subcutaneous	1020mg/kg (1020mg/kg)		Chemical and Pharmaceutical Bulletin. Vol. 28, Pg. 1237, 1980.
mouse	LD50	unreported	1350mg/kg (1350mg/kg)		United States Patent Document. Vol. #5240918,
rabbit	LD50	oral	1010mg/kg (1010mg/kg)	BEHAVIORAL: CHANGES IN MOTOR ACTIVITY (SPECIFIC ASSAY)	Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 24(3), Pg. 43, 1980.
rat	LD50	intraperitoneal	340mg/kg (340mg/kg)		Nippon Yakurigaku Zasshi. Japanese Journal of Pharmacology. Vol. 62, Pg. 11, 1966.
rat	LD50	oral	200mg/kg (200mg/kg)		"Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 67, 1969.
rat	LD50	rectal	790mg/kg (790mg/kg)		"Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 67, 1969.
women	TDLo	oral	480mg/kg/5D-I (480mg/kg)	KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)"	New England Journal of Medicine. Vol. 296, Pg. 418, 1977.
women	TDLo	oral	525mg/kg/5D-I (525mg/kg)	LIVER: "HEPATITIS (HEPATOCELLULAR NECROSIS), DIFFUSE"	Annals of Internal Medicine. Vol. 80, Pg. 74, 1974.
women	TDLo	oral	800mg/kg (800mg/kg)	KIDNEY, URETER, AND BLADDER: "CHANGES IN TUBULES (INCLUDING ACUTE RENAL FAILURE, ACUTE TUBULAR NECROSIS)" MUSCULOSKELETAL: OTHER CHANGES	American Journal of Emergency Medicine. Vol. 7, Pg. 409, 1989.
women	TDLo	rectal	4550mg/kg (4550mg/kg)	BRAIN AND COVERINGS: ENCEPHALITIS BEHAVIORAL: COMA CARDIAC: ARRHYTHMIAS (INCLUDING CHANGES IN CONDUCTION)	Annals of Pharmacotherpy. Vol. 28, Pg. 467, 1994.

Safety Profile

Hazard Codes: Harmful Xn
Risk Statements: 22-36/37/38
R22: Harmful if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36/37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39: Wear suitable protective clothing, gloves and eye/face protection.
RIDADR: UN 1851
WGK Germany: 1
RTECS: VO0700000
PackingGroup: III

Specification

Aspirin (CAS NO.50-78-2), its Synonyms are Acetylsalicylic acid ; 2-(Acetyloxy)benzoic acid ; 2-Acetoxybenzoic acid ; 2-Carboxyphenyl acetate ; Acesal ; Aceticyl ; Acetilsalicilico ; Acetilum acidulatum ; Benzoic acid, 2-(acetyloxy)- ; O-Acetylsalicylic acid ; Salicylic acid, acetate . It is odorless white crystals or crystalline powder with a slightly bitter taste.