2-Butanone, phenylhydrazone (CAS 1129-62-0) — Green Specialty Note Fragrance Ingredient
2-Butanone, phenylhydrazone
CAS 1129-62-0
What Is 2-Butanone, phenylhydrazone?
2-Butanone, phenylhydrazone is a synthetic chemical used in specialized fragrance formulations. It’s not commonly encountered in consumer products but may appear in niche perfumery. This ingredient matters because it represents a class of fragrance molecules that can impart unique olfactory characteristics, though its use is limited due to safety considerations.
Safety Profile
PROFESSIONAL USEWhat Does 2-Butanone, phenylhydrazone Smell Like?
2-Butanone, phenylhydrazone has a sharp, chemical odor with green, slightly animalic undertones. The initial impression is intensely synthetic, evolving into a more subdued, dry woodiness. The dry-down reveals faint phenolic characteristics that linger close to the skin. Performance is moderate, with projection diminishing quickly but leaving a subtle trace for several hours.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
2D Molecular Structure
SMILES: CC\C(C)=N\NC1=CC=CC=C1
Chemistry, Properties & Perfumer Guide
The Chemistry
2-Butanone, phenylhydrazone belongs to the hydrazone class of compounds, formed by the condensation of 2-butanone with phenylhydrazine. These compounds are typically synthesized in laboratory settings and are not found in nature. The phenylhydrazone moiety contributes to both the molecular stability and the distinct olfactory profile of this material.
Physical & Chemical Properties
| Molecular Weight | N/A |
|---|---|
| Boiling Point | N/A |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Experimental Perfumery | <0.5% | Trace amounts | Used for specific olfactory effects |
Classic Accords
Tip: Use in minute quantities and always with proper safety evaluation.
Alternatives & Comparisons
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not currently listed in IFRA standards.
GHS Classification
RIFM Assessment
No RIFM safety assessment currently available.
Sustainability
This synthetic compound has minimal environmental impact when properly handled, but requires energy-intensive laboratory synthesis. Disposal should follow hazardous chemical protocols.
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Physicochemical Properties
DTXSID: DTXSID9051585
Physical Properties
| Molecular Weight | 162.236 g/mol🔬 EPA CompTox |
| Density | 1.006 g/cm^3📊 OPERA |
| Boiling Point | 219.09 °C📊 OPERA |
| Melting Point | 65.315 °C📊 OPERA |
| Flash Point | 100.499 °C📊 OPERA |
| Refractive Index | 1.512 Dimensionless📊 OPERA |
| Molar Volume | 172.627 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 2.585 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 1.482 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 2.35 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.52 Log10 unitless📊 OPERA |
| Water Solubility | 0.003 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.068 mmHg📊 OPERA |
| Surface Tension | 31.861 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 24.39 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 2 count💻 Computed |
| Rotatable Bonds | 3 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 51.818 cm^3/mol📊 OPERA |
| Polarizability | 20.542 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.
