Methyl Salicylate

• CAS: 119-36-8
• Catalog Number: ACM119368
• Category: Other Products
• Molecular Weight: 152.15
• Molecular Formula: C8H8O3
• 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.
• Synonyms: O-Hydroxybenzoic acid methyl ester
• IUPAC Name: Methyl 2-hydroxybenzoate
• 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
• 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
• Active Content: 95%
• Assay: 0.99
• Autoignition Temperature: 847 °F (USCG, 1999);850 °F;451 °C
• 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
• H-Bond Acceptor: 3
• H-Bond Donor: 1
• Heat of Vaporization: 11.155 kcal/mol @ the boiling point
• Heavy Atom Count: 11
• ICSC Number: 1505
• LogP: 2.55 (LogP);2.55;Log Kow = 2.55;2.55;2.55
• MDL Number: MFCD00002214
• 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
• Physical State: Liquid
• pKa: pKa 9.87 (20 °, 0.1M NaClO4)
• 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
• Symbol: GHS07
• 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

Custom Q&A

What is the CAS number of Methyl Salicylate?

The CAS number of Methyl Salicylate is 119-36-8.

What are some synonyms for Methyl Salicylate?

Some synonyms for Methyl Salicylate are O-Hydroxybenzoic acid methyl ester and Methyl 2-hydroxybenzoate.

What is the molecular weight of Methyl Salicylate?

The molecular weight of Methyl Salicylate is 152.15.

What is the molecular formula of Methyl Salicylate?

The molecular formula of Methyl Salicylate is C8H8O3.

What is the SMILES notation for Methyl Salicylate?

The SMILES notation for Methyl Salicylate is COC(=O)C1=CC=CC=C1O.

What is the InChI key for Methyl Salicylate?

The InChI key for Methyl Salicylate is OSWPMRLSEDHDFF-UHFFFAOYSA-N.

What is the boiling point of Methyl Salicylate?

The boiling point of Methyl Salicylate is 222 °C.

What is the melting point of Methyl Salicylate?

The melting point of Methyl Salicylate is -8--7 °C.

What is the purity of Methyl Salicylate?

The purity of Methyl Salicylate is 99%.

What is the typical application of Methyl Salicylate?

The typical application of Methyl Salicylate is perfume.

Synthetic Use

Downstream Synthesis Route 1

• 139139-81-4
• 119-36-8

• 56341-31-2

Reference: [1] Patent: CN106977489, 2017, A, . Location in patent: Paragraph 0035; 0036; 0037; 0037; 0038; 0039; 0040-0049

Downstream Synthesis Route 2

• 119-36-8

• 52755-90-5

Reference: [1] Journal of Heterocyclic Chemistry, 2006, vol. 43, # 4, p. 835 - 841
[2] Bioorganic and Medicinal Chemistry Letters, 2002, vol. 12, # 3, p. 471 - 475
[3] Inorganic Chemistry, 2013, vol. 52, # 17, p. 10183 - 10190

Downstream Synthesis Route 3

• 119-36-8

• 21725-69-9

Reference: [1] Tetrahedron Letters, 2016, vol. 57, # 48, p. 5301 - 5303

Downstream Synthesis Route 4

• 3512-75-2
• 119-36-8

• 101090-18-0

Reference: [1]Yakugaku Zasshi/Journal of the Pharmaceutical Society of Japan,1957,vol. 77,p. 222,224
Chem.Abstr.,1957,p. 11342

Downstream Synthesis Route 5

• 100-51-6
• 119-36-8

• 118-58-1

Reference: [1]Journal of the American Chemical Society,1998,vol. 120,p. 6277 - 6286

Downstream Synthesis Route 6

• 16487-46-0
• 119-36-8

• 4068-78-4

Reference: [1]Tetrahedron Letters,2019,vol. 60,p. 2009 - 2013
[2]Green Chemistry,2018,vol. 20,p. 1193 - 1198
[3]Zhurnal Prikladnoi Khimii,1937,vol. 10,p. 1889,1891
Chemisches Zentralblatt,1938,vol. 109,p. 2853
[4]Zhurnal Prikladnoi Khimii,1937,vol. 10,p. 1889,1891
Chemisches Zentralblatt,1938,vol. 109,p. 2853
[5]Comptes Rendus Chimie,2012,vol. 15,p. 799 - 807

* For details of the synthesis route, please refer to the original source to ensure accuracy.