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Substance Name: Dimethyl salicylate
RN: 606-45-1
UNII: SB18J2MCQL
InChIKey: PFYHAAAQPNMZHO-UHFFFAOYSA-N

Molecular Formula

  • C9-H10-O3

Molecular Weight

  • 166.175
 
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Names and Synonyms

Name of Substance

  • Dimethyl salicylate

Synonyms

  • 2-Methoxybenzoic acid, methyl ester
  • 4-10-00-00144 (Beilstein Handbook Reference)
  • AI3-00680
  • Benzoic acid, 2-methoxy-, methyl ester
  • BRN 2207356
  • Dimethyl salicylate
  • EINECS 210-118-6
  • FEMA No. 2717
  • Methoxy methylbenzoate, o-
  • Methyl 2-methoxybenzoate
  • Methyl o-anisate
  • Methyl o-methoxybenzoate
  • Methyl salicylate o-methyl ether
  • Methylsalicylate methyl ether
  • Methyol o-methoxybenzoate
  • NSC 406256
  • o-Anisic acid, methyl ester
  • o-Methoxy methyl benzoate
  • o-Methoxybenzoic acid methyl ester
  • UNII-SB18J2MCQL

Systematic Names

  • Benzoic acid, 2-methoxy-, methyl ester
  • Methyl o-anisate
  • o-Anisic acid, methyl ester (7CI,8CI)

Superlist Name

  • Dimethyl salicylate

Registry Numbers

CAS Registry Number

  • 606-45-1

FDA UNII

  • SB18J2MCQL

System Generated Number

  • 0000606451

Structure Descriptors

InChI

1S/C9H10O3/c1-11-8-6-4-3-5-7(8)9(10)12-2/h3-6H,1-2H3

InChIKey

PFYHAAAQPNMZHO-UHFFFAOYSA-N

Smiles

COc1ccccc1C(=O)OC

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rabbit LD50 skin > 5gm/kg (5000mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 385, 1988.
rat LD50 oral 3800mg/kg (3800mg/kg)   Food and Chemical Toxicology. Vol. 26, Pg. 385, 1988.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 246.5 deg C   EXP
log P (octanol-water) 2.04 (none)   EXP
Water Solubility 1160 mg/L 25 EST
Vapor Pressure 0.060 mm Hg 25 EST
Henry's Law Constant 2.05E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.96E-12 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.