254525
tert-Butyl propionate
99%
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About This Item
Linear Formula:
CH3CH2COOC(CH3)3
CAS Number:
Molecular Weight:
130.18
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
1747857
Assay:
99%
Form:
liquid
InChI
1S/C7H14O2/c1-5-6(8)9-7(2,3)4/h5H2,1-4H3
SMILES string
CCC(=O)OC(C)(C)C
InChI key
JAELLLITIZHOGQ-UHFFFAOYSA-N
assay
99%
form
liquid
Quality Level
bp
118-118.5 °C (lit.)
density
0.865 g/mL at 25 °C (lit.)
functional group
ester
Related Categories
General description
Stereochemistry of kinetic Michael addition of the Z and E lithium enolates of tert-butyl propionate has been investigated.
signalword
Danger
hcodes
Hazard Classifications
Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
69.8 °F - closed cup
flash_point_c
21 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
危险化学品
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Acyclic stereoselection. 31. Stereoselection in the Michael addition reaction. 3. Relationship between ester enolate geometry and adduct stereochemistry in the kinetic Michael reaction of lithium enolates with enones.
Heathcock CH and Oare DA.
The Journal of Organic Chemistry, 50(16), 3022-3024 (1985)
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