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HomeProduct name listtert-Butyl acetoacetate

tert-Butyl acetoacetate

Synonym(s):TBAA;ACTB;actba;Actin, cytoplasmic 1;Actin, cytoplasmic 1, N-terminally processed

  • CAS NO.:1694-31-1
  • Empirical Formula: C8H14O3
  • Molecular Weight: 158.2
  • MDL number: MFCD00008811
  • EINECS: 216-904-5
  • SAFETY DATA SHEET (SDS)
  • Update Date: 2024-10-29 11:48:30
tert-Butyl acetoacetate Structural

What is tert-Butyl acetoacetate?

Chemical properties

liquid

The Uses of tert-Butyl acetoacetate

Intermediate for the syntheses of different organic chemicals. Product Data Sheet

The Uses of tert-Butyl acetoacetate

tert-Butyl acetoacetate is used as intermediate for the syntheses of different organic chemicals. Raw material in pharmaceutical Industry, In agrochemical industry. Reagent for Acyloin synthesis and ?,β - unsaturated ketones synthesis.

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.

Flammability and Explosibility

Flammable

Biochem/physiol Actions

β-Actin modulates cell growth, migration and the G-actin pool. Mutations in ACTB leads to pleiotropic developmental disorder.

Purification Methods

Distil it under reduced pressure through a short column. [Lawesson et al. Org Synth Coll Vol V 155 1973, Lawesson et al. Org Synth 42 28 1962, Beilstein 3 IV 1536.] HARMFUL VAPOUR.

Properties of tert-Butyl acetoacetate

Melting point: -38 °C (lit.)
Boiling point: 71-72 °C/11 mmHg (lit.)
Density  0.954 g/mL at 25 °C (lit.)
vapor pressure  79.32Pa at 25℃
refractive index  n20/D 1.419
Flash point: 150 °F
storage temp.  -20°C
solubility  9g/l
form  Liquid
pka 10.71±0.46(Predicted)
color  clear
PH 5.7 (9g/l, H2O, 20℃)
explosive limit 1.1%(V)
Water Solubility  Soluble in water (9g/L).
BRN  1680303
CAS DataBase Reference 1694-31-1(CAS DataBase Reference)
NIST Chemistry Reference Butanoic acid, 3-oxo-, 1,1-dimethylethyl ester(1694-31-1)
EPA Substance Registry System tert-Butyl acetoacetate (1694-31-1)

Safety information for tert-Butyl acetoacetate

Signal word Warning
Pictogram(s)
ghs
Exclamation Mark
Irritant
GHS07
GHS Hazard Statements H227:Flammable liquids
Precautionary Statement Codes P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking.
P280:Wear protective gloves/protective clothing/eye protection/face protection.
P370+P378:In case of fire: Use … for extinction.
P403+P235:Store in a well-ventilated place. Keep cool.
P501:Dispose of contents/container to..…

Computed Descriptors for tert-Butyl acetoacetate

InChIKey JKUYRAMKJLMYLO-UHFFFAOYSA-N

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