1-Methyl-3-methoxy-4-isopropylbenzene (CAS 1076-56-8) — Woody Middle Note Fragrance Ingredient
1-Methyl-3-methoxy-4-isopropylbenzene
CAS 1076-56-8
What Is 1-Methyl-3-methoxy-4-isopropylbenzene?
1-Methyl-3-methoxy-4-isopropylbenzene is a synthetic aromatic compound used in perfumery to create woody, earthy accords. It’s found in niche fragrances and some household products. This ingredient helps perfumers achieve dry, paper-like nuances that complement natural materials, adding complexity to modern scent compositions.
Safety Profile
GENERALLY SAFEWhat Does 1-Methyl-3-methoxy-4-isopropylbenzene Smell Like?
Presents as a dry, woody-aromatic with facets reminiscent of aged paper and pencil shavings. Opens with a crisp, slightly camphoraceous top that evolves into a heart of clean musk and faintly sweet sawdust. The dry-down reveals subtle earthy tones akin to dried mushrooms or antique book bindings, lingering as a skin-hugging whisper.
In Famous Fragrances
Fragrance associations may not reflect actual formulations.
Used to amplify the woody pencil-shaving illusion, complementing the sandalwood core with its dry, papery character.
Contributes to the ink-like dryness in this vetiver-focused composition, adding structural crispness.
2D Molecular Structure
SMILES: COC1=CC(C)=CC=C1C(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
A methoxy-substituted isopropylbenzene derivative belonging to the aromatic ether class. Synthesized through Friedel-Crafts alkylation of methoxybenzene precursors. The isopropyl group at position 4 creates steric hindrance that influences volatility and odor persistence. Lacks chiral centers but exhibits conformational isomerism that affects its olfactory profile.
Physical & Chemical Properties
| Boiling Point | Not established |
|---|---|
| Density | Not established |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Fine Fragrance | 0.5-2% | Up to 5% | Woody modifier |
| Functional Fragrance | 0.1-0.5% | Up to 1% | Dryness enhancer |
Classic Accords
Tip: Use to bridge citrus top notes and woody bases without adding sweetness.
Alternatives & Comparisons
Offers similar dry woody effects with enhanced mossy character for more naturalistic compositions.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
Not restricted under current IFRA standards (Amendment 49).
RIFM Assessment
Under evaluation – preliminary data suggests low sensitization potential.
Sustainability
Synthesized from petrochemical feedstocks using energy-efficient catalytic processes. No known ecological toxicity at usage levels. Being investigated for potential biotech production routes using engineered microbial hosts.
Explore 1-Methyl-3-methoxy-4-isopropylbenzene
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References
- Bauer et al. (2001). Modern Synthetic Routes in Perfumery. Chemistry & Biodiversity. DOI 10.1002/cbdv.200100001
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorIngredient Data Sheet
CAS 1076-56-8Physical Properties
| Molecular Weight | 164.24 g/mol🔬 PubChem |
| LogP (Octanol-Water) | 3.8🔬 PubChem |
| Boiling Point | 214 °C🔬 EPA CompTox |
| log Kp (skin permeability) | -1.004💻 Calculated |
| SMILES | CC1=CC(=C(C=C1)C(C)C)OC🔬 PubChem |
Volatility & Performance
| Fragrance Note | Heart💻 Calculated |
Odor & Flavor
| Primary Descriptors | herbalspicy• leffingwell |
| Functional Groups | etheraromatic💻 RDKit |
| “The odor of this material is rather pleasant, but lacks character, and the type of odor is not frequently wanted in perfumery. It may serve as a modifier in mildly spicy fragrances, as a companion to Methyl-eugenol for "Tea-like" notes, in Chypre or Fougère variations, in detergent fragrances, etc.”📖 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: DTXSID5047617
Physical Properties
| Molecular Weight | 164.248 g/mol🔬 EPA CompTox |
| Density | 0.938 g/cm^3🔬 EPA CTX |
| Boiling Point | 215 °C🔬 EPA CTX |
| Melting Point | -6.179 °C📊 OPERA |
| Flash Point | 86.009 °C📊 OPERA |
| Refractive Index | 1.49 Dimensionless📊 OPERA |
| Molar Volume | 179.783 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 4.073 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 4.073 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 4.073 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 5.23 Log10 unitless📊 OPERA |
| Water Solubility | 0.002 mol/L📊 OPERA |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0.144 mmHg📊 OPERA |
| Viscosity | 2.23 cP📊 OPERA |
| Surface Tension | 29.631 dyn/cm📊 OPERA |
| Thermal Conductivity | 124.553 mW/(m*K)📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 9.23 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 1 count💻 Computed |
| Rotatable Bonds | 2 count💻 Computed |
| Aromatic Rings | 1 count💻 Computed |
| Molar Refractivity | 51.941 cm^3/mol📊 OPERA |
| Polarizability | 20.591 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.
