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Methyl Salicylate

Catalog Number
ACM119368
CAS Number
119-36-8
Product Name
Methyl Salicylate
Structure
Category
Polymers
Synonyms
O-Hydroxybenzoic acid methyl ester
Description
This product has anti-inflammatory and analgesic effects and is widely used in joint muscle analgesic ointment, tincture and oil. It is also used as solvent and various intermediates in the manufacture of pesticides, fungicides, polishing agents, copper resistant agents, spices, food, cosmetics, toothpaste, coatings, inks and fiber dye AIDS.;
IUPAC Name
Methyl 2-hydroxybenzoate
Molecular Weight
152.15
Molecular Formula
C8H8O3
Canonical SMILES
COC(=O)C1=CC=CC=C1O
InChI
InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3
InChI Key
OSWPMRLSEDHDFF-UHFFFAOYSA-N
Boiling Point
222 °C
Melting Point
-8--7 °C
Flash Point
226 °F
Purity
99%
Density
1.174 g/mL at 25 °C(lit.)
Solubility
less than 1 mg/mL at 66° F (NTP, 1992);Slightly soluble;0.05 M;0.7 mg/mL at 30 °C;SOL IN CHLOROFORM, ETHER; MISCIBLE WITH ALC, GLACIAL ACETIC ACID;SOL IN DIETHYL ETHER;SOLUBLE IN MOST COMMON ORGANIC SOLVENTS;Sol in water: 0.74%w @ 30 °C;0.7 mg/mL at 30 °C;Solubility in water, g/100ml at 20 °C: 0.07;slightly soluble in water; soluble in organic solvents, oils;miscible at room temperature (in ethanol)
Appearance
Oil
Assay
0.99
Color/Form
COLORLESS, YELLOWISH OR REDDISH, OILY LIQ
Complexity
144
Covalently-Bonded Unit Count
1
EC Number
204-317-7;289-888-0;614-802-9
Exact Mass
152.047344113
Formal Charge
0
Hazard Statements
Xn
Heat of Vaporization
11.155 kcal/mol @ the boiling point
Heavy Atom Count
11
ICSC Number
1505
Log P
2.55 (LogP);2.55;Log Kow = 2.55;2.55;2.55
MDL Number
MFCD00002214
MeSH Entry Terms
Hewedolor;Linsal;methyl salicylate;methyl salicylate sodium salt;methylsalicylate;Metsal Liniment;Rheumabal
Monoisotopic Mass
152.047344113
NSC Number
8204
Odor
LIQUID HAVING THE CHARACTERISTIC ODOR OF WINTERGREEN
Other Experimental
DENSITY OF NATURAL ESTER IS ABOUT 1.180;WINTERGREEN ESSENTIAL OIL: ESTER VALUE: 354-356; OPTICAL ROTATION: -0 DEG 25' TO -1 DEG 30';1 MM HG @ 54.0 °C;Heat capacity = 59.46 cal/deg K-mol @ 15-30 °C
Packaging
1 kg
Refractive Index
n20/D 1.536(lit.)
Rotatable Bond Count
2
RTECS Number
VO4725000
Safety Description
26-36-24/25
Stability
Stable. Incompatible with strong oxidizing agents, strong bases.
Storage Conditions
Inert atmosphere,Room Temperature
Supplemental Hazard Statements
H302-H315-H319-H335
Topological Polar Surface Area
46.5 Ų
UNII
LAV5U5022Y
Vapor Density
5.24 (NTP, 1992) (Relative to Air);5.2;Relative vapor density (air = 1): 5.24
Vapor Pressure
0.0975 mm Hg at 68 °F ; 1 mm Hg at 129° F (NTP, 1992);0.03 mmHg;Vapor pressure = 0.0343 mm Hg @ 25 °C;Vapor pressure, Pa at 20 °C: 6
XLogP3
2.3
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