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586-38-9

Name 3-Methoxybenzoic acid
CAS 586-38-9
EINECS(EC#) 209-574-9
Molecular Formula C8H8O3
MDL Number MFCD00002499
Molecular Weight 152.15
MOL File 586-38-9.mol
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Chemical Properties

Appearance white to light yellow crystal powder
Melting point  105-107 °C (lit.)
Boiling point  170-172 °C/10 mmHg (lit.)
density  1.2143 (rough estimate)
FEMA  3944
refractive index  1.4945 (estimate)
Fp  170-172°C/10mm
storage temp.  Sealed in dry,Room Temperature
solubility  95% ethanol: soluble50mg/mL, clear, colorless to faintly yellow
form  Powder
pka 4.10(at 25℃)
color  Off-white to slightly yellow-beige
biological source synthetic
Water Solubility  Soluble in 95% ethanol (50 mg/ml), water (2 mg/ml at 25°C) and methanol.
JECFA Number 882
BRN  508838
InChI 1S/C8H8O3/c1-11-7-4-2-3-6(5-7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey XHQZJYCNDZAGLW-UHFFFAOYSA-N
SMILES COc1cccc(c1)C(O)=O
LogP 2.02
CAS DataBase Reference 586-38-9(CAS DataBase Reference)
NIST Chemistry Reference Benzoic acid, 3-methoxy-(586-38-9)
EPA Substance Registry System 586-38-9(EPA Substance)
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Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
RTECS  BZ4375000
F  3
TSCA  Yes
HS Code  29189090
Storage Class 11 - Combustible Solids
Toxicity
LDLo ipr-mus: 250 mg/kg CBCCT* 6,144,54

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