Isopentylamine (CAS 107-85-7) — Musky N/A Note Fragrance Ingredient
Isopentylamine
CAS 107-85-7
What Is Isopentylamine?
Isopentylamine is a synthetic chemical compound occasionally used in fragrance formulations. Consumers might encounter it in trace amounts in some perfumes or household products. While not a common fragrance ingredient, it serves as a building block in creating more complex aroma chemicals. Its significance lies in its role as a precursor in organic synthesis, helping create other fragrance molecules that contribute to the final scent profile of various products.
Safety Profile
USE WITH AWARENESSWhat Does Isopentylamine Smell Like?
Isopentylamine has a sharp, pungent, fishy odor at higher concentrations, often described as ammonia-like or reminiscent of decaying organic matter. In diluted form, it can contribute a slightly animalic nuance to fragrance compositions. The molecule lacks significant top-heart-base evolution due to its simple structure, presenting a linear olfactory profile. It dries down quickly, leaving minimal trace unless used in combination with fixatives. Its challenging odor profile means it’s rarely used directly in perfumery, but rather as an intermediate in creating more pleasant aroma chemicals.
2D Molecular Structure
SMILES: CC(C)CCN
Chemistry, Properties & Perfumer Guide
The Chemistry
Isopentylamine is a primary aliphatic amine with a five-carbon chain. As a simple amine, it’s highly reactive and serves primarily as a chemical intermediate rather than a direct fragrance ingredient. It’s typically synthesized through the reaction of isopentyl alcohol with ammonia or through reductive amination of isovaleraldehyde. The molecule lacks chirality centers, existing as a single stereoisomer. Its chemical reactivity makes it valuable for producing more complex nitrogen-containing compounds used in fragrance chemistry, though the amine itself is rarely employed in final fragrance formulations due to its challenging odor profile.
Physical & Chemical Properties
| Boiling Point | Not well documented |
|---|---|
| Density | Not well documented |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | Trace | Up to 0.1% | Rarely used directly |
| Functional Fragrance | Trace | Up to 0.5% | Intermediate use only |
Classic Accords
Tip: Use extreme caution and at minimal concentrations due to strong, unpleasant odor at higher levels.
Alternatives & Comparisons
Similar chemical properties but slightly different odor profile, sometimes preferred for synthesis routes.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No specific IFRA restrictions, but generally avoided in direct fragrance applications.
GHS Classification
RIFM Assessment
Not formally evaluated by RIFM due to limited direct fragrance use.
Sustainability
As a synthetic chemical intermediate, isopentylamine’s environmental impact is primarily tied to its production process. While not derived from petrochemicals in all cases, its synthesis typically requires energy-intensive processes. The fragrance industry generally uses this compound in controlled industrial settings rather than in consumer-facing products, minimizing its direct environmental footprint. Responsible disposal is important due to its potential aquatic toxicity.
Explore Isopentylamine
Browse essential oils and aroma compounds.
Browse on iHerb →Affiliate disclosure: we may earn a small commission at no extra cost to you.
Perfumer’s Notes
FEMA #: 3219 | IOFI #: Nature Identical
Isopentylamine has an unpleasant, ammoniacal odor.
Odor: [‘cheesy’]
MW: 87.16
LogP: 1
Ingredient Data Sheet
CAS 107-85-7Physical Properties
| Molecular Weight | 87.16 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 1🔬 PubChem |
| Boiling Point | 95 °C🔬 EPA CompTox |
| Vapor Pressure | 36.0029 mmHg @ 25°C📊 OPERA |
| Flash Point | 4 °C🔬 EPA CompTox |
| Involatility Index | 4.1563💻 Calculated |
| log Kp (skin permeability) | -2.522💻 Calculated |
| SMILES | CC(C)CCN🔬 PubChem |
Volatility & Performance
| Fragrance Note | Top💻 Calculated |
| Volatility Class | Very fast💻 Calculated |
| Persistence Score | 0.5 / 5💻 Calculated |
Odor & Flavor
| Functional Groups | amine💻 RDKit |
| “Unpleasant Ammonia type odor with a decay-like, "decomposition" odor.”📖 Arctander | |
| Isopentylamine has an unpleasant, ammoniacal odor.📖 Fenaroli | |
Flavor Notes (Arctander)
| “The author has no record of its use in flavors.”📖 Arctander |
Regulatory Status
| IOFI Classification | Nature Identical📖 Fenaroli |
Physical data: PubChem (NIH/NLM), U.S. EPA CompTox Dashboard, EPA OPERA models, RDKit. Odor & flavor: Arctander (Perfume & Flavor Chemicals), Fenaroli's Handbook of Flavor Ingredients, Leffingwell. Thresholds: van Gemert (Compilations of Odour Threshold Values). Regulatory: IFRA Standards 51st, FEMA GRAS. Trade names: Surburg (Common Fragrance & Flavor Materials). All data compiled and cross-referenced for perfumertools.com.
Physicochemical Properties
DTXSID: DTXSID7059355
Physical Properties
| Molecular Weight | 87.166 g/mol🔬 EPA CompTox |
| Density | 0.749 g/cm^3🔬 EPA CTX |
| Boiling Point | 96.375 °C🔬 EPA CTX |
| Melting Point | -63.286 °C🔬 EPA CTX |
| Flash Point | 4 °C🔬 EPA CTX |
| Refractive Index | 1.413 Dimensionless📊 OPERA |
| Molar Volume | 115.123 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 0.72 Log10 unitless🔬 EPA CTX |
| LogD (pH 5.5) | -3.079 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | -1.999 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 4.26 Log10 unitless📊 OPERA |
| Water Solubility | 2.415 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 36.003 mmHg🔬 EPA CTX |
| Viscosity | 0.723 cP📊 OPERA |
| Surface Tension | 23.882 dyn/cm📊 OPERA |
| Thermal Conductivity | 186.021 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 26.02 Ų💻 Computed |
| H-Bond Donors | 1 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 2 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 28.707 cm^3/mol📊 OPERA |
| Polarizability | 11.38 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.
Related Research
- Labdanum extract ambreine (CAS 68917-77-1) — Balsamic Base Note Fragrance Ingredient
- Tetrahydro-6-(2-pentenyl)-2H-pyran-2-one (CAS 34686-71-0) — Sweet Middle Note Fragrance Ingredient
- Morpholinium compounds, N-ethyl-N-soya alkyl, Et sulfates (CAS 61791-34-2) — Citrus Heart Note Fragrance Ingredient
- Hexyl propionate (CAS 2445-76-3) — Sweet Top Note Fragrance Ingredient
