Methyl Salicylate - CAS 119-36-8

Catalog:	BB053999
Product Name:	Methyl Salicylate
CAS:	119-36-8
Synonyms:	2-Hydroxy-benzoicacimethyl ester; Benzoic acid, 2-hydroxymethyl ester; Betula; Betula Lenta; methyl o-hydroxybenzoate

Technical Data

Related CAS:	8024-54-2 7631-93-8 (sodium salt)
IUPAC Name:	methyl 2-hydroxybenzoate
Description:	Methyl salicylate is an organic ester naturally produced by many species of plants, particularly wintergreens. It is also synthetically produced, used as a fragrance, in foods and beverages, and in liniments. It is a natural fumigant for mosquito control.
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:	220-224°C
Melting Point:	-8.6°C
Flash Point:	110°C
Purity:	>98%
Density:	1.184±0.1 g/cm3
Solubility:	Soluble in Ethanol (Very Slightly), Water (Very Slightly)
Appearance:	Colorless Yellowish or Reddish Liquid
Storage:	Store at 2-8°C
MDL:	MFCD00002214
LogP:	2.55 (LogP);2.55;Log Kow = 2.55;2.55;2.55
Quality Standard:	USP/BP
Refractive Index:	1.523
Stability:	Stable. Incompatible with strong oxidizing agents, strong bases.
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

GHS Hazard Statement:	H302: Harmful if swallowed [Warning Acute toxicity, oral]; H317: May cause an allergic skin reaction [Warning Sensitization, Skin]; H361d: Suspected of damaging the unborn child [Warning Reproductive toxicity]; H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P203, P261, P264, P270, P272, P273, P280, P301+P317, P302+P352, P318, P321, P330, P333+P313, P362+P364, P405, and P501
Signal Word:	Warning

Complexity:	144
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.047344113
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	152.047344113
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3