Molekula
4'-Isobutylacetophenone
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
4'-Isobutylacetophenone is an aromatic ketone used mainly as the key intermediate in ibuprofen synthesis, where it is made by Friedel-Crafts acetylation of isobutylbenzene in both the Boots and BHC processes, and it is also catalogued as the pharmacopoeial reference standard Ibuprofen Impurity E. It appears as a pale yellow to colorless liquid with a characteristic sweet, floral aroma. This chemical has a CAS number of 38861-78-8, a molecular formula of C12H16O, and a molecular weight of 176.25 g/mol. Store it at 2 to 8°C in a cool, dry place, away from incompatible substances. The product carries a signal word of Warning for safety handling. Molekula supplies 4'-Isobutylacetophenone 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
Pack sizes & pricing
Pricing on request — packs available from research to bulk quantities.
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Specifications
| Property | Value |
|---|---|
| Appearance | Light yellow liquid |
| Refractive Index | 1.5170 to 1.5190 (20°C, 589 nm) |
| Assay | ≥96.0 % |
Storage & handling
| Property | Value |
|---|---|
| Storage Temperature | 2 to 8 °C |
| Flash Point | 54 °C |
| Transport Class | 9 |
| Packing Group | III |
| Acidity | Neutral |
Identification
| Property | Value |
|---|---|
| SKU | 90026401 |
| CAS Number | 38861-78-8 |
| IUPAC Name | 1-[4-(2-methylpropyl)phenyl]ethanone |
| EC Number | 254-159-8 |
| Molecular Formula | C12H16O |
| Molecular Weight | 176.25 |
| Exact Mass | 176.1201 |
| SMILES | CC(C)CC1=CC=C(C=C1)C(=O)C |
| InChIKey | KEAGRYYGYWZVPC-UHFFFAOYSA-N |
| InChI | InChI=1S/C12H16O/c1-9(2)8-11-4-6-12(7-5-11)10(3)13/h4-7,9H,8H2,1-3H3 |
| PubChem CID | 93214 |
| UN Number | UN1224 |
| REACH Code | Y110 |
| TSCA Listed | Yes |
| HTS Code | 29143990 |
| Tariff Code | 2914390090 |
Safety & GHS
-
Flammable
GHS02
-
Health Hazard
GHS07
-
Hazardous to the Environment
GHS09
Hazard statements
- H226 Flammable liquid and vapour
- H315 Causes skin irritation
- H317 May cause an allergic skin reaction
- H411 Toxic to aquatic life with long lasting effects
Precautionary statements
- P210 Keep away from heat/sparks/open flames/hot surfaces - No smoking
- P260 Do not breathe dust/fume/gas/mist/vapours/spray
- P273 Avoid release to the environment
- P280 Wear protective gloves/protective clothing/eye protection/face protection
- P303+361 IF ON SKIN (or hair): Remove immediately all contaminated clothing. Rinse with water/shower
- P305+351+338 IF IN EYES: Rinse with water for several minutes. Remove contact lenses if present and easy to do. Continue rinsing
Documents
Safety Data Sheets (SDS)
Available in English, English (US), French, German, Italian, Portuguese, 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-(4-Isobutylphenyl)ethan-1-one
- 1-(4-Isobutylphenyl)ethanone
- 1-[4-(2-methylpropyl)phenyl]ethan-1-one
- 1-[4-(2-methylpropyl)phenyl]ethanone
- 1-acetyl-4-(2-methylpropyl)benzene
- 4'-(2-Methylpropyl)acetophenone
- Acetophenone, 4-isobutyl-
- Ethanone, 1-[4-(2-methylpropyl)phenyl]-
- p-Isobutylacetophenone
Frequently asked questions
What is 4'-Isobutylacetophenone commonly used for?
4'-Isobutylacetophenone is used mainly as the key intermediate in ibuprofen synthesis, produced by Friedel-Crafts acetylation of isobutylbenzene in the Boots and BHC processes. It is also used as a reference standard, catalogued as the pharmacopoeial Ibuprofen Impurity E.
What is the chemical formula and molecular weight of 4'-Isobutylacetophenone?
The chemical formula is C12H16O, and the molecular weight is 176.25 g/mol.
What safety classification does this product have?
The product is labeled with the signal word 'Warning' under GHS classification, indicating moderate hazard.
How should 4'-Isobutylacetophenone be stored?
Store at 2 to 8°C in a cool, dry place, away from incompatible substances and sources of ignition.
Does Molekula supply 4'-Isobutylacetophenone in bulk quantities?
Yes, Molekula can provide 4'-Isobutylacetophenone in bulk, with quantities tailored to your specific requirements—please contact us for details.
What documentation is provided with an order of 4'-Isobutylacetophenone?
Each order includes a Certificate of Analysis (CoA), Material Safety Data Sheet (MSDS), and batch-specific documentation for traceability.
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.