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254525

Sigma-Aldrich

tert-Butyl propionate

99%

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Linear Formula:
CH3CH2COOC(CH3)3
CAS Number:
Molecular Weight:
130.18
Beilstein:
1747857
MDL number:
PubChem Substance ID:
NACRES:
NA.22

Assay

99%

form

liquid

refractive index

n20/D 1.393 (lit.)

bp

118-118.5 °C (lit.)

density

0.865 g/mL at 25 °C (lit.)

SMILES string

CCC(=O)OC(C)(C)C

InChI

1S/C7H14O2/c1-5-6(8)9-7(2,3)4/h5H2,1-4H3

InChI key

JAELLLITIZHOGQ-UHFFFAOYSA-N

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1 of 4

This Item
419885416738124230
tert-Butyl propionate 99%

Sigma-Aldrich

254525

tert-Butyl propionate

tert-Butyl propiolate 98%

Sigma-Aldrich

419885

tert-Butyl propiolate

form

liquid

form

liquid

form

liquid

form

liquid

refractive index

n20/D 1.393 (lit.)

refractive index

n20/D 1.418 (lit.)

refractive index

n20/D 1.453 (lit.)

refractive index

n20/D 1.445 (lit.)

bp

118-118.5 °C (lit.)

bp

52-53 °C/27 mmHg (lit.)

bp

135-136 °C (lit.)

bp

50 °C/10 mmHg (lit.)

density

0.865 g/mL at 25 °C (lit.)

density

0.919 g/mL at 25 °C (lit.)

density

0.927 g/mL at 25 °C (lit.)

density

1.321 g/mL at 25 °C (lit.)

Quality Level

100

Quality Level

200

Quality Level

200

Quality Level

200

General description

Stereochemistry of kinetic Michael addition of the Z and E lithium enolates of tert-butyl propionate has been investigated.

Pictograms

FlameExclamation mark

Signal Word

Danger

Hazard Statements

Hazard Classifications

Eye Irrit. 2 - Flam. Liq. 2 - Skin Irrit. 2

Storage Class Code

3 - Flammable liquids

WGK

WGK 3

Flash Point(F)

69.8 °F - closed cup

Flash Point(C)

21 °C - closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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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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