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537594

tert-Butyl acetoacetate

reagent grade, 95%

Synonym(s):

TBAA

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About This Item

Linear Formula:
CH3COCH2COOC(CH3)3
CAS Number:
1694-31-1
Molecular Weight:
158.19
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
24878235
MDL number:
MFCD00008811
Beilstein/REAXYS Number:
1680303
Assay:
95%
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grade

reagent grade

Quality Segment

100

assay

95%

expl. lim.

8 % (lit.)

impurities

≤0.20% water
water

refractive index

n20/D 1.419 (lit.)

bp

71-72 °C/11 mmHg (lit.)

mp

-38 °C (lit.)

density

0.954 g/mL at 25 °C (lit.)

functional group

ester, ketone

SMILES string

CC(=O)CC(=O)OC(C)(C)C

InChI

1S/C8H14O3/c1-6(9)5-7(10)11-8(2,3)4/h5H2,1-4H3

InChI key

JKUYRAMKJLMYLO-UHFFFAOYSA-N

General description

tert-Butyl acetoacetate (t-BAA) is a cheap and easy to store commercial reagent. Reaction demonstrated that the more hindered tert-butyl acetoacetate (t-BAA, la) is ca.15-20-fold more reactive than the more commonly used methyl or ethyl analogs. It is widely employed as an acetoacetylating reagent.

Application

tert-Butyl acetoacetate may be used in the synthesis of:
  • various acetoacetic acid derivatives
  • acetoacetates
  • acetoacetamides
  • 1-(diethylamino)-2-acetoacetoxypropane
  • (S)-tert-butyl 3-hydroxybutyrate
  • benzothiazole β-keto ester derivatives
  • 3,4-disubstituted pyrroles

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Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

150.8 °F - closed cup

flash_point_c

66 °C - closed cup

ppe

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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.

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

fsl

Substances Subject to be Notified Names

ishl_notified

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