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Methyl anisate Structure

Methyl anisate

Chemical Properties

Melting point 47-51 °C (lit.)
Boiling point 244-245 °C (lit.)
Density  1.1708 (rough estimate)
refractive index  1.5224 (estimate)
FEMA  2679 | METHYL ANISATE
Flash point >230 °F
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform, Methanol (Slightly)
form  Solid
color  Plates from alcohol. Flakes from EtOH or Et2O
Odor at 100.00 %. herbal anise sweet
Odor Type anisic
biological source synthetic
Water Solubility  643.1mg/L(20 ºC)
JECFA Number 884
BRN  2208571
Dielectric constant 4.3(33℃)
Major Application flavors and fragrances
Cosmetics Ingredients Functions PERFUMING
InChI 1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3
InChIKey DDIZAANNODHTRB-UHFFFAOYSA-N
SMILES COC(=O)c1ccc(OC)cc1
LogP 2.27
CAS DataBase Reference 121-98-2(CAS DataBase Reference)
NIST Chemistry Reference Benzoic acid, 4-methoxy-, methyl ester(121-98-2)
EPA Substance Registry System Benzoic acid, 4-methoxy-, methyl ester (121-98-2)

Safety Information

Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  22-24/25
WGK Germany  2
RTECS  BZ4925000
TSCA  TSCA listed
HS Code  29189900
Storage Class 11 - Combustible Solids
Toxicity LD50 orl-rat: >5 g/kg FCTXAV 14,481,76

MSDS

Usage And Synthesis

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