Methyl 3,4,5-trimethoxybenzoate Structure

Methyl 3,4,5-trimethoxybenzoate

Chemical Properties

Melting point 82-84 °C (lit.)
Boiling point 274-275 °C (lit.)
Density  1.2668 (rough estimate)
refractive index  1.5140 (estimate)
Flash point 274-275°C
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Slightly), Ethyl Acetate (Slightly), Methanol (Slightly)
form  Solid
color  White to Off-White
BRN  2218156
InChI InChI=1S/C11H14O5/c1-13-8-5-7(11(12)16-4)6-9(14-2)10(8)15-3/h5-6H,1-4H3
InChIKey KACHFMOHOPLTNX-UHFFFAOYSA-N
SMILES C(OC)(=O)C1=CC(OC)=C(OC)C(OC)=C1
LogP 1.740 (est)
CAS DataBase Reference 1916-07-0(CAS DataBase Reference)
FDA UNII QFP1LSC7TK
NIST Chemistry Reference Benzoic acid, 3,4,5-trimethoxy-, methyl ester(1916-07-0)
EPA Substance Registry System Benzoic acid, 3,4,5-trimethoxy-, methyl ester (1916-07-0)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) GHS hazard pictograms
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P271-P280
Hazard Codes  Xi
Safety Statements  24/25
WGK Germany  3
RTECS  DI0820000
Hazard Note  Irritant
TSCA  TSCA listed
HS Code  29189900
Storage Class 11 - Combustible Solids
NFPA 704:
1
0 0

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