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About This Item
Empirical Formula (Hill Notation):
C7H12O4
CAS Number:
Molecular Weight:
160.17
PubChem Substance ID:
UNSPSC Code:
12352201
Beilstein/REAXYS Number:
1723141
MDL number:
SMILES string
COC(=O)C[C@H](C)CC(O)=O
InChI
1S/C7H12O4/c1-5(3-6(8)9)4-7(10)11-2/h5H,3-4H2,1-2H3,(H,8,9)/t5-/m1/s1
InChI key
BYBMHSADRRMVHY-RXMQYKEDSA-N
assay
≥98.0% (sum of enantiomers, GC)
optical purity
enantiomeric ratio: ≥90:10 (R:S) (GC)
refractive index
n20/D 1.438
density
1.116 g/mL at 20 °C (lit.)
storage temp.
2-8°C
Other Notes
Chiral building block
signalword
Warning
hcodes
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
target_organs
Respiratory system
Storage Class
10 - Combustible liquids
wgk
WGK 3
flash_point_f
230.0 °F - closed cup
flash_point_c
110 °C - closed cup
ppe
Eyeshields, Gloves, type ABEK (EN14387) respirator filter
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C.F. Francis et al.
Journal of the Chemical Society. Chemical Communications, 579-579 (1984)
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