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50-78-2

50-78-2 Structure

50-78-2 Structure
IdentificationMore
[Name]

Acetylsalicylic acid
[CAS]

50-78-2
[Synonyms]

2-ACETOXYBENZOIC ACID
2-(ACETYLOXY)-BENZOIC ACID
ACETICYL
ACETOXYBENZOIC ACID
ACETYLSALICYLIC ACID
ACETYLSALICYLIC ACID IMPURITY D
ACETYSALICYLIC ACID
AKOS BBS-00003798
ALKENYL SUCCINIC ANHYDRIDES
ASA
ASPIRIN
O-ACETOXYBENZOIC ACID
O-ACETYLSALICYLIC ACID
2-(acetyloxy)-benzoicaci
2-Acetyloxybenzoesαure
2-acetyloxybenzoic
2-Carboxyphenyl acetate
A.S.A. Empirin
a.s.a.empirin
AC 5230
[EINECS(EC#)]

200-064-1
[Molecular Formula]

C9H8O4
[MDL Number]

MFCD00002430
[Molecular Weight]

180.16
[MOL File]

50-78-2.mol
Chemical PropertiesBack Directory
[Appearance]

Acetylsalicylic acid is a white crystalline solid with a slightly bitter taste. It is odorless but hydrolyzes in moist air to give an acetic acid odor
[Appearance]

White Solid
[mp ]

134-136 °C(lit.)
[density ]

1.35
[Fp ]

250 °C
[storage temp. ]

Store at RT.
[solubility ]

H2O: 10 mg/mL at 37 °C
[form ]

crystalline
[color ]

white
[Stability:]

Stable. Keep dry. Incompatible with strong oxidizing agents, strong bases, strong acids, various other compounds such as iodides, iron salts, quinine salts, etc.
[Water Solubility ]

3.3 g/L (20 ºC)
[Usage]

Analgesic; antipyretic; anti-inflammatory; antithrombotic
[Merck ]

14,851
[BRN ]

779271
[CAS DataBase Reference]

50-78-2(CAS DataBase Reference)
[NIST Chemistry Reference]

Benzoic acid, 2-(acetyloxy)-(50-78-2)
[EPA Substance Registry System]

50-78-2(EPA Substance)
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

R22:Harmful if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

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
[HS Code ]

29182200
[Safety Profile]

Poison by ingestion, intraperitoneal, and possibly other routes. Human systemic effects by ingestion: acute pulmonary edema, body temperature increase, changes in kidney tubules, coma, constipation, dehydration, hematuria, hepatitis, nausea or vomiting, respiratory stimulation, somnolence, tinnitus, decreased urine volume. Implicated in aplastic anemia. A 10 gram dose to an adult may be fatal. A human teratogen. Human reproductive effects by ingestion and possibly other routes: menstrual cycle changes, parturition, various effects on newborn including Apgar score, developmental abnormalities of the cardlovascular and respiratory systems. Experimental animal reproductive effects. Human mutation data reported. An allergen; skin contact, inhalation, or ingestion can cause asthma, sneezing, irritation of eyes and nose, hves, and eczema. Combustible when exposed to heat or flame. When heated to decomposition it emits acrid smoke and fumes.
[Hazardous Substances Data]

50-78-2(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Salicylic acid
[Preparation Products]

Warfarin-->3-CARBETHOXY-4-HYDROXYCOUMARIN-->O-ACETYLSALICYLOYL CHLORIDE-->BENORILATE
Hazard InformationBack Directory
[General Description]

Odorless white crystals or crystalline powder with a slightly bitter taste.
[Reactivity Profile]

The active ingredient in common aspirin. Incompatible with oxidizers and strong acids. Also incompatible with strong bases. May react with water or nucleophiles (e.g. amines and hydroxy groups). May also react with acetanilide, amidopyrine, phenazone, hexamine, iron salts, phenobarbitone sodium, quinine salts, potassium and sodium iodides, alkali hydroxides, carbonates, stearates and paracetanol.
[Air & Water Reactions]

Slowly hydrolyzes in moist air. Has been involved in dust cloud explosions. Water insoluble. Solution in water is acid to methyl red indicator.
[Hazard]

An allergen; may cause local bleeding espe- cially of the gums; 10-g dose may be fatal. May cause excessive biosynthesis of prostaglandins. Dust dispersed in air is serious explosion risk. Skin and eye irritant.
[Potential Exposure]

Used as an over-the counter and proprietary pharmaceutical and veterinary drug. Those engagedin manufacture of aspirin or, more likely, in its consumption in widespread use as an analgesic, antipyretic, and antiinflammatory agent
[First aid]

Move victim to fresh air. Call 911 or emergency medical service. Give artificial respiration if victim is not breathing. Do not use mouth-to-mouth method if victim ingested or inhaled the substance; give artificial respiration with the aid of a pocket mask equipped with a one-way valve or other proper respiratory medical device. Administer oxygen if breathing is difficult. Remove and isolate contaminated clothing and shoes. In the case of contact with substance, immediately flush skin or eyes with running water for at least 20 minutes. For minor skin contact, avoid spreading material on unaffected skin. Keep victim warm and quiet. Effects of exposure (inhalation, ingestion or skin contact) to substance may be delayed. Ensure that medical personnel are aware of the material(s) involved and take precautions to protect themselves. Medical observation is recommended for 24 to 48 hours after breathing overexposure, as pulmonary edema may be delayed. As first aid for pulmonary edema, a doctor or authorized paramedic may consider administering a drug or other inhalation therapy.
[Fire Hazard]

This chemical is combustible.
[Shipping]

UN2811 Toxic solids, organic, n.o.s., Hazard Class: 6.1; Labels: 6.1-Poisonous materials, Technical Name Required
[Incompatibilities]

Incompatible with oxidizers (chlorates, nitrates, peroxides, permanganates, perchlorates, chlorine, bromine, fluorine, etc.); contact may cause fires or explosions. Keep away from alkaline materials, strong bases, strong acids, oxoacids, epoxides, carbonates, moisture. Dust dispersed in air is explosive
[Waste Disposal]

May be flushed to sewer with large volumes of water.
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

Acetylsalicylic acid(50-78-2).msds
Questions And AnswerBack Directory
[What’s acetylsalicylic acid?]

Acetylsalicylic acid, also known as aspirin, is an analgesic-antipyretic medicine made by salicylic acid interacting with acetic anhydride. It is a white crystalline powder, odorless, stable in dry air. It will be slowly hydrolyzed to be salicylic acid and acetic acid in moist air, and aqueous solution has acidic reaction. Slightly soluble in water, soluble in ethanol, ethyl ether, chloroform, sodium hydroxide solution and sodium carbonate solution. Acetylsalicylic acid has antipyretic analgesic, anti-inflammatory and anti-rheumatism effect, that’s why it is often used for fever, headache, muscle pain, neuralgia, rheumatic fever, acute rheumatic arthritis, gout, etc.; also it has antiplatelet aggregation effect, and can be used for prevention of arterial thrombosis, atherosclerosis, transient cerebral ischemia and myocardial infarction; in addition, acetylsalicylic acid also can be used in the treatment of biliary tract roundworm disease and athlete's foot.
Pharmacological actions
Acetylsalicylic acid is one of the traditional antipyretic analgesics, as well as the role of platelet aggregation. Acetylsalicylic acid in the body has the characteristics of the antithrombotic, can reduce the formation of obstructive blood clots in surrounding arteries, and inhibit release of platelet response and endogenous ADP, 5-HT, etc., therefore to inhibit second phase other than the first phase of platelet aggregation. The mechanism of action of acetylsalicylic acid is to make platelets cyclooxygenase acetylation, thus inhibiting the formation of ring peroxide, and TXA2 formation is also reduced as well. At the mean time make the platelet membrane protein acetylation, and inhibit platelet membrane enzyme, which helps to inhibit platelet function. As the cyclooxygenase is inhibited, it impacts blood vessel wall synthesized to be PGI2, the platelet TXA2 synthetic enzymes also to be inhibited; so it would impact formation of both TXA2 and PGI2 when it is large doses. Suitable for ischemic heart disease, after percutaneous transluminal coronary angioplasty or coronary artery bypass grafting, prevent transient ischemic stroke, myocardial infarction and reduce the incidence of arrhythmia.
The above information is edited by the Chemicalbook He Liao Pu.
[Chemical property]

This product is a white crystalline, with melting point 138~140 ℃, insoluble in water, soluble in alcohol, ether, etc.
[Uses]

1.Acetylsalicylic acid is the raw material for rodenticide intermediates 4-hydroxycoumarin.
2.Used to make outdoor structural members and equipment parts exposed in highlights, such as the automobile body, agricultural machinery parts, meters and electric lamps, road marking, etc.
3.It is the earliest applied, the most popular and the most common antipyretic analgesics anti-rheumatism medicine, has aspects of pharmacological effects as antipyretic-analgesic and anti-inflammatory, anti-platelet aggregation and works quickly and effectively. Overdosage can be easily diagnosed and treated, with rare allergic reactions. Often used to cold fever, headache, neuralgia, joint ache, muscle pain, rheumatic fever, acute wet sex arthritis, rheumatoid arthritis and toothache, etc. Listed in National Essential Medicine List. Acetylsalicylic acid also works as an intermediate of other medicines.
[How Aspirin is used in Ischemic Stroke therapy]

In the therapy of Ischemic Stroke, 50 to 325 mg/day started between 24 and 48 hours after completion of alteplase has also been shown to reduce long-term death and disability.
Aspirin, clopidogrel, and extended-release dipyridamole plus aspirin are all considered first-line antiplatelet agents. The combination of aspirin and clopidogrel can only be recommended in patients with ischemic stroke and a recent history of myocardial infarction or coronary stent placement and then only with ultra-low-dose aspirin to minimize bleeding risk.
[Production method]

Acetylation of salicylic acid: add acetic anhydride (feeding ratio is 0.7889 times of the total salicylic acid) in reaction vessel, and then add two thirds of salicylic acid, stir it and temperature rises. React 40-60min in 81-82℃. Cool it to 81-82 ℃ and keep the temperature for 2h. When free salicylic acid is qualified, cool it to 13 ℃, precipitation crystallization, rejection filter, dry it in 65-70℃ air flow, then we get acetylsalicylic acid.
[Category]

Toxic substance
[Toxicity grading]

High toxic
[Acute toxicity]

Oral-rat LD50: 200 mg/kg; Oral-mice LD50: 250 mg/kg
[Flammable hazardous characteristics]

Flammable in fire; irritant gas would be decomposed out when heated.
[Handling and storage characteristics]

Warehouse needs to be ventiIative and dry with low temperature; separate it from oxidant and food additives.
[Fire extinguishing agent]

Water fog, foam, carbon dioxide, sandy soil.
[Occupational standard]

TWA 5 mg/m3
Spectrum DetailBack Directory
[Spectrum Detail]

Acetylsalicylic acid(50-78-2) IR1
Acetylsalicylic acid(50-78-2) Raman
Acetylsalicylic acid(50-78-2) 1H NMR
Acetylsalicylic acid(50-78-2) MS
Acetylsalicylic acid(50-78-2) 13C NMR
Acetylsalicylic acid(50-78-2) IR2
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

Acetylsalicylic acid, 99%(50-78-2)
[Alfa Aesar]

O-Acetylsalicylic acid, 99%(50-78-2)
[Sigma Aldrich]

50-78-2(sigmaaldrich)
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