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About This Item
Empirical Formula (Hill Notation):
C7H12O4
CAS Number:
Molecular Weight:
160.17
Beilstein:
1723141
MDL number:
UNSPSC Code:
12352201
PubChem Substance ID:
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
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
Other Notes
Chiral building block
Signal Word
Warning
Hazard Statements
Precautionary Statements
Hazard Classifications
Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
Target Organs
Respiratory system
Storage Class Code
10 - Combustible liquids
WGK
WGK 3
Flash Point(F)
230.0 °F - closed cup
Flash Point(C)
110 °C - closed cup
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Gloves
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C.F. Francis et al.
Journal of the Chemical Society. Chemical Communications, 579-579 (1984)
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