CAS 83-40-9|3-Methylsalicylic acid
Introduction：Basic information about CAS 83-40-9|3-Methylsalicylic acid, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 3-Methylsalicylic acid | ||
|---|---|---|---|
| CAS Number | 83-40-9 | Molecular Weight | 152.147 |
| Density | 1.3±0.1 g/cm3 | Boiling Point | 293.2±28.0 °C at 760 mmHg |
| Molecular Formula | C8H8O3 | Melting Point | 98-100 °C(lit.) |
| MSDS | ChineseUSA | Flash Point | 145.4±20.5 °C |
| Symbol | GHS05, GHS07 | Signal Word | Danger |
Names
| Name | 3-Methylsalicylic acid |
|---|---|
| Synonym | More Synonyms |
3-Methylsalicylic acid BiologicalActivity
| Description | 3-Methylsalicylic acid is a salicylic acid derivative compound with marked fibrinolytic activity in human plasma by activating its fibrinolytic system. |
|---|---|
| Related Catalog | Signaling Pathways >>Others >>OthersResearch Areas >>Cardiovascular Disease |
Chemical & Physical Properties
| Density | 1.3±0.1 g/cm3 |
|---|---|
| Boiling Point | 293.2±28.0 °C at 760 mmHg |
| Melting Point | 98-100 °C(lit.) |
| Molecular Formula | C8H8O3 |
| Molecular Weight | 152.147 |
| Flash Point | 145.4±20.5 °C |
| Exact Mass | 152.047348 |
| PSA | 57.53000 |
| LogP | 2.52 |
| Vapour Pressure | 0.0±0.6 mmHg at 25°C |
| Index of Refraction | 1.600 |
| InChIKey | WHSXTWFYRGOBGO-UHFFFAOYSA-N |
| SMILES | Cc1cccc(C(=O)O)c1O |
| Storage condition | -20?C Freezer |
| Water Solubility | 1.5 g/L (20 ºC) |
Toxicological Information
CHEMICAL IDENTIFICATION |
ACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - rat
- DOSE/DURATION :
- 445 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1 gm/kg
- TOXIC EFFECTS :
- Behavioral - analgesia
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 345 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
MUTATION DATA - TYPE OF TEST :
- DNA inhibition
- TEST SYSTEM :
- Human Lymphocyte
- DOSE/DURATION :
- 1 mmol/L
- REFERENCE :
- BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 29,1275,1980
- TYPE OF TEST :
- DNA inhibition
- TEST SYSTEM :
- Human Lymphocyte
- DOSE/DURATION :
- 1 mmol/L
- REFERENCE :
- BCPCA6 Biochemical Pharmacology. (Pergamon Press Inc., Maxwell House, Fairview Park, Elmsford, NY 10523) V.1- 1958- Volume(issue)/page/year: 29,1275,1980
Safety Information
| Symbol | GHS05, GHS07 |
|---|---|
| Signal Word | Danger |
| Hazard Statements | H302-H315-H318-H335 |
| Precautionary Statements | P261-P280-P305 + P351 + P338 |
| Personal Protective Equipment | dust mask type N95 (US);Eyeshields;Faceshields;Gloves |
| Hazard Codes | Xn:Harmful |
| Risk Phrases | R22;R41 |
| Safety Phrases | S26-S36/39-S22 |
| RIDADR | UN 2811 |
| WGK Germany | 3 |
| RTECS | BZ4385000 |
| HS Code | 2918290000 |
Customs
| HS Code | 2918290000 |
|---|---|
| Summary | HS: 2918290000 other carboxylic acids with phenol function but without other oxygen function, their anhydrides, halides, peroxides, peroxyacids and their derivatives Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) VAT:17.0% MFN tariff:6.5% General tariff:30.0% |
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| In vitro inhibition of salicylic acid derivatives on human cytosolic carbonic anhydrase isozymes I and II. Bioorg. Med. Chem. 16 , 9101-5, (2008) The inhibition of two human cytosolic carbonic anhydrase (hCA, EC 4.2.1.1) isozymes, hCA I and II, with a series of salicylic acid derivatives was investigated by using the esterase method with 4-nitr... |
Synonyms
| Cresotic acid |
| 2-carboxy-6-methylphenol |
| o-cresotic acid |
| o-cresotinic |
| Hydroxytoluic |
| EINECS 209-447-8 |
| 2-Hydroxy-3-methyl-benzoic acid |
| 3-Methylsalicylic acid |
| Benzoic acid, 2-hydroxy-3-methyl- |
| 2-ANISIC ACID |
| 3-methyl salicylic acid |
| 3-MS |
| 2-Hydroxy-3-methylbenzoic acid |
| cresotinicacid |
| MFCD00002431 |
