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Safety Information

254525

Sigma-Aldrich

tert-Butyl propionate

99%

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About This Item

Linear Formula:
CH3CH2COOC(CH3)3
CAS Number:
20487-40-5
Molecular Weight:
130.18
Beilstein:
1747857
MDL number:
MFCD00009304
UNSPSC Code:
12352100
PubChem Substance ID:
24855390
NACRES:
NA.22

Quality Level

100

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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General description

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

Pictograms

FlameExclamation mark
GHS02,GHS07

Signal Word

Danger

Hazard Statements

H225,H315,H319

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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

FSL

Group 4: Flammable liquids
Type 2 petroleums
Hazardous rank III
Water insoluble liquid

JAN Code

254525-100G:
254525-25G:
254525-BULK:
254525-VAR:

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Certificates of Analysis (COA)

Lot/Batch Number
BCBB2702V
BCBB2702
09708MH
1094653
047831/1

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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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