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About This Item
Empirical Formula (Hill Notation):
C9H14O3
CAS Number:
Molecular Weight:
170.21
PubChem Substance ID:
UNSPSC Code:
12352005
Beilstein/REAXYS Number:
4176869
MDL number:
Assay:
≥99.0% (sum of enantiomers, HPLC)
Form:
solid
grade
puriss.
Quality Segment
assay
≥99.0% (sum of enantiomers, HPLC)
form
solid
optical activity
[α]20/D −221±3°, c = 1% in chloroform
reaction suitability
reagent type: chrial catalyst
mp
60-62 °C
SMILES string
CC1=CC(=O)O[C@@H](O1)C(C)(C)C
InChI
1S/C9H14O3/c1-6-5-7(10)12-8(11-6)9(2,3)4/h5,8H,1-4H3/t8-/m1/s1
InChI key
HWPXDBBVCANLFT-MRVPVSSYSA-N
General description
"Reagent of the Year 1987"
Other Notes
Chiral building block; this derivative of acetoacetate undergoes various stereoselective reactions with nucleophiles and electrophiles
PPE (personal protective equipment)
Eyeshields, Gloves, type N95 (US)
Storage Class
11 - Combustible Solids
WGK
WGK 3
Flash Point (°F)
Not applicable
Flash Point (°C)
Not applicable
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