579-75-9

Name o-Anisic acid
CAS 579-75-9
EINECS(EC#) 209-447-8
Molecular Formula C8H8O3
MDL Number MFCD00002431
Molecular Weight 152.15
MOL File 579-75-9.mol
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Chemical Properties

Appearance White to off-white crystalline powder
Melting point  98-100 °C(lit.)
Boiling point  200°C
density  1.2143 (rough estimate)
vapor pressure  0.002Pa at 25℃
FEMA  3943
refractive index  1.4945 (estimate)
storage temp.  Sealed in dry,Room Temperature
solubility  5g/l
form  Crystalline Powder
pka 4.09±0.10(Predicted)
color  White to off-white
Odor odorless
Water Solubility  4.2g/L(25 ºC)
Detection Methods T,NMR
JECFA Number 881
BRN  509929
Henry's Law Constant 2.5×103 mol/(m3Pa) at 25℃, Abraham and Jr. (2019)
InChI 1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)
InChIKey ILUJQPXNXACGAN-UHFFFAOYSA-N
SMILES COc1ccccc1C(O)=O
LogP 2.046 at 25℃
CAS DataBase Reference 579-75-9(CAS DataBase Reference)
NIST Chemistry Reference Benzoic acid, 2-methoxy-(579-75-9)
EPA Substance Registry System 579-75-9(EPA Substance)
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Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H315-H319
Precautionary statements  P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes  Xi
Safety Statements 
S24/25:Avoid contact with skin and eyes .
WGK Germany  3
RTECS  BZ4385000
Hazard Note  Irritant
TSCA  Yes
REACH Registrations Inactive
HS Code  29189090
Storage Class 11 - Combustible Solids

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