Molekula
tert-Butyl acetoacetate
Supplying 4,500+ customers in over 80 countries
ISO 9001:2015 & ISO 14001:2015 certified · Supplying laboratories and industry since 2000 · Listed pack sizes are a starting point — we manufacture, source and repack to the quantity you need
tert-Butyl acetoacetate is a beta-keto ester widely used as a building block in organic synthesis, pharmaceuticals, and agrochemicals for its reactivity in forming heterocycles and as a solvent. It appears as a colorless to pale yellow liquid with a mild ester odor. Catalogue details include CAS 1694-31-1, molecular formula CH3COCH2COOC(CH3)3, and molecular weight 158.19 g/mol. It is stable at ambient storage conditions with no signal word classification. Molekula supplies tert-Butyl acetoacetate from research to bulk quantities with full documentation and ISO 9001:2015 traceability.
Example image for illustration only. Other packaging and pack sizes are available.
Pricing & pack sizes
These pack sizes aren't a limit. Molekula manufactures, sources and repacks to order — if you need 500 kg and only see 1 kg listed, . We quote from grams to multi-tonne.
Need a different size? Add the nearest pack and change the size in your basket — we price it at the same rate per unit.
-
100 g — $58.10 per pack
Need a different quantity or pack?
Tell us how much you need and when — drums, IBCs, sacks or a one-off bulk lot. We'll manufacture or source it and come back with a price.
Prices exclude VAT/sales tax and shipping.
Specifications
| Property | Value |
|---|---|
| Appearance | Colourless or light yellow transparent liquid |
| Assay | ≥98.0% |
| Acidity | ≤0.15% |
Storage & handling
| Property | Value |
|---|---|
| Storage Temperature | Ambient |
| Flash Point | 66 °C |
| Acidity | Neutral |
Identification
| Property | Value |
|---|---|
| SKU | 79269061 |
| CAS Number | 1694-31-1 |
| IUPAC Name | tert-butyl 3-oxobutanoate |
| EC Number | 216-904-5 |
| Molecular Formula | CH3COCH2COOC(CH3)3 |
| Molecular Weight | 158.19 |
| Exact Mass | 158.0943 |
| SMILES | CC(=O)CC(=O)OC(C)(C)C |
| InChIKey | JKUYRAMKJLMYLO-UHFFFAOYSA-N |
| InChI | InChI=1S/C8H14O3/c1-6(9)5-7(10)11-8(2,3)4/h5H2,1-4H3 |
| PubChem CID | 15538 |
| REACH Code | Y110 |
| TSCA Listed | Yes |
| HTS Code | 2918.30.90.00 |
| Tariff Code | 2918300090 |
Safety & GHS
Precautionary statements
- P280 Wear protective gloves/protective clothing/eye protection/face protection
Documents
Safety Data Sheets (SDS)
Available in English, French, German, Italian, Spanish.
Certificate of Analysis (CoA) by batch
Enter a lot or batch number to retrieve the CoA for that specific batch. We can generate one from spec data if no PDF is on file.
Synonyms
- 1,1-dimethylethyl acetoacetate
- Acetoacetic acid, tert-butyl ester
- Butanoic acid, 3-oxo-, 1,1-dimethylethyl ester
- Butyl acetoacetate, tert-
- t-Butyl acetoacetate
- TBAA
- tert-Butyl 3-oxobutanoate
- tert-Butyl 3-oxobutyrate
- tert-Butyl Oxobutyrate
Frequently asked questions
What is tert-Butyl acetoacetate commonly used for?
It is primarily used as a building block in organic synthesis, including the production of pharmaceuticals, agrochemicals, and flavors/fragrances, as well as a solvent and stabilizer in various formulations.
What is the molecular formula and molecular weight of tert-Butyl acetoacetate?
The molecular formula is **CH₃COCH₂COOC(CH₃)₃**, and the molecular weight is **158.19 g/mol**.
How should tert-Butyl acetoacetate be stored?
Store in a tightly sealed container at **ambient temperature**, away from sources of ignition and incompatible materials.
What grades or purities of tert-Butyl acetoacetate does Molekula supply?
Molekula supplies **technical grade** and **high-purity (HPLC/GC grade)** tert-Butyl acetoacetate, depending on your application requirements.
Can Molekula supply tert-Butyl acetoacetate in bulk quantities?
Yes, Molekula can supply tert-Butyl acetoacetate in **bulk quantities**, with flexible packaging options (drums, IBCs, or custom solutions) for large-scale orders.
What documentation is provided with an order of tert-Butyl acetoacetate?
Each order includes a **Certificate of Analysis (CoA)**, **Material Safety Data Sheet (MSDS)**, and **batch-specific documentation** for traceability and compliance.
Ready to order or need a custom pack?
Tell us the product, grade, and quantity — Molekula usually responds within one working day with pricing and lead time.