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About This Item
Empirical Formula (Hill Notation):
C8H12O4
CAS Number:
Molecular Weight:
172.18
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352005
MDL number:
Assay:
98%
Form:
solid
Quality Level
assay
98%
form
solid
optical activity
[α]20/D −44°, c = 1.4 in methanol
mp
117-119 °C (lit.)
functional group
ester, hydroxyl
SMILES string
OC[C@H]1[C@H](O)C[C@@H]2OC(=O)C[C@H]12
InChI
1S/C8H12O4/c9-3-5-4-1-8(11)12-7(4)2-6(5)10/h4-7,9-10H,1-3H2/t4-,5-,6-,7+/m1/s1
InChI key
VYTZWRCSPHQSFX-GBNDHIKLSA-N
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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