93-40-3

Name (3,4-Dimethoxyphenyl)acetic acid
CAS 93-40-3
EINECS(EC#) 202-244-5
Molecular Formula C10H12O4
MDL Number MFCD00004335
Molecular Weight 196.2
MOL File 93-40-3.mol
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Chemical Properties

Appearance white to beige powder
Melting point  96-98 °C (lit.)
Boiling point  293.08°C (rough estimate)
density  1.2166 (rough estimate)
refractive index  1.5430 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
form  Powder
pka pK1:4.333 (25°C)
color  White to beige
Water Solubility  SOLUBLE
BRN  1110282
InChI 1S/C10H12O4/c1-13-8-4-3-7(6-10(11)12)5-9(8)14-2/h3-5H,6H2,1-2H3,(H,11,12)
InChIKey WUAXWQRULBZETB-UHFFFAOYSA-N
SMILES COc1ccc(CC(O)=O)cc1OC
LogP 1.242
CAS DataBase Reference 93-40-3(CAS DataBase Reference)
NIST Chemistry Reference Acetic acid, 3,4-dimethoxyphenyl-(93-40-3)
EPA Substance Registry System 93-40-3(EPA Substance)
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Safety Data

Hazard Codes  Xn,Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed.
Safety Statements 
S22:Do not breathe dust .
S24/25:Avoid contact with skin and eyes .
S36/37:Wear suitable protective clothing and gloves .
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
WGK Germany  3
RTECS  AH0675000
Hazard Note  Irritant
TSCA  Yes
REACH Registrations Active
HazardClass  IRRITANT
HS Code  29189090
Storage Class 11 - Combustible Solids

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