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1694-31-1

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Identification

Name
tert-Butyl acetoacetate
CAS
1694-31-1
Synonyms
3-oxo-butanoic acid 1,1-dimethylethyl ester
ACETOACETIC ACID TERT-BUTYL ESTER
ACTB
TBAA
T-BUTYL ACETOACETATE
TERT-BUTYL ACETOACETATE
Butanoicacid,3-oxo-,1,1-dimethylethylester
ter'-Butylacetoacetate
tert-Butyl 3-oxobutanoate
tert-Butyl 3-Oxobutyrate
#ntert.-Butylacetoacetate
TERT-BUTYL ACETOACETATE, WACKER QUALITY
TERT-BUTYL ACETOACETATE, REAGENT GRADE, 98%
1,1-Dimethylethyl 3-oxobutanoate
tert-Butyl acetoacetate, 98+%
tert-B-butyl acetoacetate, 99%
EINECS(EC#)
216-904-5
Molecular Formula
C8H14O3
MDL Number
MFCD00008811
Molecular Weight
158.19
MOL File
1694-31-1.mol

Chemical Properties

Appearance
liquid
mp 
-38 °C
Melting point 
-38 °C (lit.)
bp 
190 °C
Boiling point 
71-72 °C/11 mmHg (lit.)
density 
0.954 g/mL at 25 °C(lit.)
refractive index 
n20/D 1.419

Fp 
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).
Usage
Intermediate for the syntheses of different organic chemicals. Product Data Sheet
BRN 
1680303
InChIKey
JKUYRAMKJLMYLO-UHFFFAOYSA-N
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
1694-31-1(EPA Substance)

Safety Data

Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S24/25:Avoid contact with skin and eyes .
RIDADR 
3272
WGK Germany 
1

TSCA 
Yes
HazardClass 
3.2
PackingGroup 
III
HS Code 
29183000

Raw materials And Preparation Products

Material Safety Data Sheet(MSDS)

Questions And Answer

Description
Tert-Butyl acetoacetate is a reagent used to acetoacetylate hydroxyl-bearing coatings resins, such as polyesters, acrylics, cellulosics, and epoxies. It can be used as an acetoacetylating reagent in pharmaceutical, agrichemical, and pigment applications. It is used as an intermediate for the syntheses of different organic chemicals. For instance, it may be used to synthesize various acetoacetic acid derivatives, acetoacetates, acetoacetamides, 1-(diethylamino)-2-acetoacetoxypropane, (S)-tert-butyl 3-hydroxybutyrate, benzothiazole β-keto ester derivatives, and 3,4-disubstituted pyrroles.

Hazard Information

Chemical Properties
liquid
Uses
Intermediate for the syntheses of different organic chemicals. Product Data Sheet
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.

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.

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