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tert-Butyl acetoacetate, 97%, ACROS Organics™

Chemical Identifiers

CAS	1694-31-1
Molecular Formula	C₈H₁₄O₃
Molecular Weight (g/mol)	158.2
MDL Number	MFCD00008811
InChI Key	JKUYRAMKJLMYLO-UHFFFAOYSA-N
Synonym	1d3dos61gx, acetoacetic acid tert-butyl ester, acetoacetic acid, tert-butyl ester, butanoic acid, 3-oxo-, 1,1-dimethylethyl ester, t-butyl acetoacetate, t-butylacetoacetate, tbaa, tert-butyl 3-oxobutyrate, tert-butyl acetoacetate, unii-1d3dos61gx
PubChem CID	15538
IUPAC Name	tert-butyl 3-oxobutanoate
SMILES	CC(=O)CC(=O)OC(C)(C)C

View More Specs

Products 2

Catalog Number	Mfr. No.	Quantity	Price	Quantity
Catalog Number	Mfr. No.	Quantity	Price	Quantity
AC107781000 SDS View Documents View Product Certificates	Fisher Scientific Acros 107781000	100mL	N/A	N/A
Please call Customer Service at 1-800-234-7437 or send an email to help@thermofisher.com for assistance.

AC107785000 SDS View Documents View Product Certificates	Fisher Scientific Acros 107785000	500mL	N/A	N/A
Please call Customer Service at 1-800-234-7437 or send an email to help@thermofisher.com for assistance.

Specifications

Chemical Identifiers

CAS	1694-31-1
Molecular Weight (g/mol)	158.2
InChI Key	JKUYRAMKJLMYLO-UHFFFAOYSA-N
PubChem CID	15538
SMILES	CC(=O)CC(=O)OC(C)(C)C

Molecular Formula	C₈H₁₄O₃
MDL Number	MFCD00008811
Synonym	1d3dos61gx, acetoacetic acid tert-butyl ester, acetoacetic acid, tert-butyl ester, butanoic acid, 3-oxo-, 1,1-dimethylethyl ester, t-butyl acetoacetate, t-butylacetoacetate, tbaa, tert-butyl 3-oxobutyrate, tert-butyl acetoacetate, unii-1d3dos61gx
IUPAC Name	tert-butyl 3-oxobutanoate

Specifications

Density	0.9700g/mL
Infrared Spectrum	Authentic
Refractive Index	1.4190 to 1.421
Boiling Point	190°C
Melting Point	-38°C
CAS	1694-31-1
Molecular Formula	C₈H₁₄O₃
MDL Number	MFCD00008811
Synonym	1d3dos61gx, acetoacetic acid tert-butyl ester, acetoacetic acid, tert-butyl ester, butanoic acid, 3-oxo-, 1,1-dimethylethyl ester, t-butyl acetoacetate, t-butylacetoacetate, tbaa, tert-butyl 3-oxobutyrate, tert-butyl acetoacetate, unii-1d3dos61gx
InChI Key	JKUYRAMKJLMYLO-UHFFFAOYSA-N
IUPAC Name	tert-butyl 3-oxobutanoate
PubChem CID	15538
Physical Form	Liquid
Chemical Name or Material	tert-Butyl acetoacetate, 99%

Flash Point	76°C
Packaging	Glass bottle
Specific Gravity	0.97
Color	Colorless to Yellow
Quantity	100mL
Assay Percent Range	96% min. (GC)
Linear Formula	CH₃COCH₂CO₂C(CH₃)₃
Fieser	01,83
Solubility Information	Solubility in water: 9g/L water (20°C). Other solubilities: soluble in xylene,miscible with most organic solvents
SMILES	CC(=O)CC(=O)OC(C)(C)C
Molecular Weight (g/mol)	158.2
Formula Weight	158.2
Percent Purity	97%

Safety and Handling

Safety and Handling

EINECSNumber : 216-904-5

TSCA : TSCA

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