3-Methylsalicylic acid
Suppliers
Names
[ CAS No. ]:
83-40-9
[ Name ]:
3-Methylsalicylic acid
[Synonym ]:
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
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
[ Storage condition ]:
-20?C Freezer
[ Water Solubility ]:
1.5 g/L (20 ºC)
MSDS
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- GP3920000
- CHEMICAL NAME :
- 2,3-Cresotic acid
- CAS REGISTRY NUMBER :
- 83-40-9
- BEILSTEIN REFERENCE NO. :
- 2086811
- LAST UPDATED :
- 199710
- DATA ITEMS CITED :
- 7
- MOLECULAR FORMULA :
- C8-H8-O3
- MOLECULAR WEIGHT :
- 152.16
- WISWESSER LINE NOTATION :
- QVR BQ C1
HEALTH HAZARD DATA
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
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
Synthetic Route
Precursor & DownStream
Precursor
DownStream
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%
Articles
J. Med. Chem. 54 , 591-602, (2011)
Fragment-based lead design (FBLD) has been used to identify new metal-binding groups for metalloenzyme inhibitors. When screened at 1 mM, a chelator fragment library (CFL-1.1) of 96 compounds produced...
J. Chromatogr. A. 1218(23) , 3689-94, (2011)
We report a novel two-dimensional (2D) separation strategy aimed at improving the detectability of liquid chromatography mass spectrometry (LC–MS) for metabolome analysis. It is based on the use of io...
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...