Shikimic acid(Bio-fermentation)

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CAS NO.: 138-59-0 Catalog: AO111
Formula: C7H10O5 Purity: 98.00% +
Molecular Weight: 174.15 Pubchem CID: 8742
InChI Key: JXOHGGNKMLTUBP-HSUXUTPPSA-N
Canonical SMILES: C1C(C(C(C=C1C(=O)O)O)O)O
Storage: Store in a cool, dry and well-ventilated area away from incompatible substances.
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Properties Information

Melting point:
185-187 °C(lit.)
alpha 
-180 º (c=4, H2O 25 ºC)
Boiling point:
225.11°C (rough estimate)
Density 
1.52 g/cm3 (27.2?)
refractive index 
-180 ° (C=1, H2O)
storage temp. 
-20°C Freezer
solubility 
180g/l
pka
pK (14.1°) 5.19
form 
Powder
color 
White to light beige or light gray
optical activity
[a]/D -180.0±5.0°, c = 4 in H2O
Water Solubility 
18 g/100 mL (20 ºC)
Sensitive 
Hygroscopic
Merck 
14,8480
BRN 
4782717
InChIKey
JXOHGGNKMLTUBP-HSUXUTPPSA-N

Safety Information

Symbol(GHS) 

GHS05
Signal word 
Danger
Hazard statements 
H318
Precautionary statements 
P280-P305+P351+P338+P310
Hazard Codes 
Xi
Risk Statements 
36/37/38
Safety Statements 
22-24/25-36-26
WGK Germany 
3
RTECS 
GW4600000
F 
3-10
HS Code 
29181980
Toxicity
LD5 i.p. in mice: 1000 mg/kg (Evans, Osman)