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About This Item
Empirical Formula (Hill Notation):
C7H14O3
CAS Number:
Molecular Weight:
146.18
UNSPSC Code:
12352108
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
1722069
Assay:
≥99.0% (sum of enantiomers, GC)
Form:
crystals
Quality Level
assay
≥99.0% (sum of enantiomers, GC)
form
crystals
optical activity
[α]20/D +7.3±0.5°, c = 1.7% in methylene chloride
optical purity
enantiomeric ratio: ≥99.5:0.5 (GC)
mp
38-42 °C
functional group
ester, hydroxyl
storage temp.
2-8°C
SMILES string
C[C@@H](O)C(=O)OC(C)(C)C
InChI
1S/C7H14O3/c1-5(8)6(9)10-7(2,3)4/h5,8H,1-4H3/t5-/m1/s1
InChI key
IXXMVXXFAJGOQO-RXMQYKEDSA-N
Other Notes
Chiral building block; synthesis of depsipeptides by reaction with amino acid derivs.; Hydroxy-group activation and substitution reaction
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Gloves, type N95 (US)
Regulatory Information
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U. Schmidt et al.
Synthesis, 475-475 (1988)
H. Kunz et al.
Angewandte Chemie (International Edition in English), 84, 798-798 (1984)
H.C. Nung et al.
Tetrahedron Letters, 33, 2629-2629 (1992)
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 69806-1G | 04061826067253 |
| 69806-5G | 04061832896601 |