p-tert-Butylacetophenone (CAS 943-27-1) — Floral Middle Note Fragrance Ingredient
p-tert-Butylacetophenone
CAS 943-27-1
What Is p-tert-Butylacetophenone?
p-tert-Butylacetophenone is a synthetic aroma chemical used in perfumery. It imparts a fresh, floral, and slightly woody scent. You’ll encounter it in laundry detergents, fabric softeners, and some floral fragrances. This ingredient matters because it provides cost-effective floralcy and enhances the longevity of fragrance compositions.
Safety Profile
GENERALLY SAFEWhat Does p-tert-Butylacetophenone Smell Like?
p-tert-Butylacetophenone opens with a crisp, floral bouquet reminiscent of magnolia blossoms, with a subtle green undertone. As it evolves, the scent develops a creamy, powdery character akin to freshly laundered linens. The dry-down reveals a faint woody nuance, like sandalwood sawdust, making it versatile in floral and woody accords. Its tenacity allows it to linger subtly on fabrics.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used here to enhance the fabric-softener effect, creating a comforting, laundry-fresh scent that lasts on skin and clothes.
Adds a clean, floral brightness to the white floral bouquet, complementing jasmine and gardenia.
2D Molecular Structure
SMILES: CC(=O)C1=CC=C(C=C1)C(C)(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
p-tert-Butylacetophenone belongs to the aryl alkyl ketone class. It is synthesized through Friedel-Crafts acylation of tert-butylbenzene with acetic anhydride. The tert-butyl group provides steric hindrance, influencing both the compound’s odor profile and chemical stability. This synthetic route ensures consistent quality and purity for perfumery applications.
Physical & Chemical Properties
| Boiling Point | 245 °C |
|---|---|
| Density | 0.96 g/cm³ |
| Refractive Index | 1.512 |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 1-3% | Up to 5% | Adds floral freshness |
| Laundry Care | 0.5-2% | Up to 3% | Enhances clean scent |
Classic Accords
Tip: Use with musks to enhance laundry-fresh effects in fabric care products.
Alternatives & Comparisons
When a more fruity-floral character is desired, with better stability in alkaline products.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted by IFRA.
EU Allergen Declaration
Not listed as an EU allergen.
RIFM Assessment
RIFM safety assessment confirms safe use at current levels.
Sustainability
As a synthetic material, p-tert-Butylacetophenone has minimal environmental impact from sourcing. Modern manufacturing processes optimize yield and reduce waste. Its longevity in formulations can reduce the need for reapplication, contributing to sustainable fragrance use.
Explore p-tert-Butylacetophenone
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References
- Arctander, S. (1969). Perfume and Flavor Chemicals. Allured Publishing.
- PubChem Compound Summary for p-tert-Butylacetophenone PubChem
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID4061337
Physical Properties
| Molecular Weight | 176.259 g/mol🔬 EPA CompTox |
| Density | 0.942 g/cm^3📊 OPERA |
| Boiling Point | 250.855 °C📊 OPERA |
| Melting Point | 17.5 °C🔬 EPA CTX |
| Flash Point | 62.51 °C📊 OPERA |
| Refractive Index | 1.494 Dimensionless📊 OPERA |
| Molar Volume | 187.651 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 3.446 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 3.446 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 3.446 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.73 Log10 unitless📊 OPERA |
| Water Solubility | 0.004 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.062 mmHg📊 OPERA |
| Viscosity | 2.088 cP📊 OPERA |
| Surface Tension | 31.516 dyn/cm📊 OPERA |
| Thermal Conductivity | 121.22 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 17.07 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 1 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 54.668 cm^3/mol📊 OPERA |
| Polarizability | 21.672 Å^3📊 OPERA |
Data Sources:
🔬 EPA Experimental data from U.S. EPA CompTox Chemicals Dashboard & CTX APIs. 📊 OPERA Predicted using EPA's OPERA QSAR models. 💻 Computed Calculated from SMILES using RDKit.
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