8.24476
(-)-Shikimic acid
for synthesis
Synonym(s):
(-)-Shikimic acid, (3R,4S,5R)-3,4,5-Trihydroxy-1-cyclohexenecarboxylic acid
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About This Item
Empirical Formula (Hill Notation):
C7H10O5
CAS Number:
Molecular Weight:
174.15
UNSPSC Code:
12352106
EC Index Number:
205-334-2
NACRES:
NA.22
MDL number:
Quality Segment
assay
≥97.0% (acidimetric)
form
crystals
mp
190 °C
density
1.52 g/cm3 at 27.2 °C
storage temp.
2-30°C
SMILES string
OC1C(CC(=CC1O)C(=O)O)O
InChI
1S/C7H10O5/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1,4-6,8-10H,2H2,(H,11,12)
InChI key
JXOHGGNKMLTUBP-UHFFFAOYSA-N
Analysis Note
Assay (acidimetric): ≥ 97.0 %
Spec. rotation [α²0/D (c=2 in water): -185.0 - -175.0 °
Identity (IR): passes test
Spec. rotation [α²0/D (c=2 in water): -185.0 - -175.0 °
Identity (IR): passes test
signalword
Danger
hcodes
Hazard Classifications
Eye Dam. 1
Storage Class
11 - Combustible Solids
wgk
WGK 3
Certificates of Analysis (COA)
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