2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)- (CAS 10191-41-0) — Woody Base Note Fragrance Ingredient

ByThe Good Scents
Woody · Balsamic

2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-

CAS 10191-41-0

Origin
synthetic
Note
Base
IFRA
Use with awareness
Data as of: Apr 2026

What Is 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-?

This synthetic ingredient is a specialized aromatic compound used in high-end fragrances. While not commonly encountered in everyday products, it appears in niche perfumery where unique molecular structures create distinctive scent profiles. Its significance lies in enabling perfumers to craft novel olfactory experiences that can’t be achieved with traditional natural materials.

Safety Profile

USE WITH AWARENESS
Generally safeUse with awarenessProfessional use
⚠ Limited safety data – handle with care
⚠ Potential skin sensitizer
CAS
10191-41-0
Formula
Mixture
MW
Variable
Odor Family
Woody · Balsamic
Layer 1 · Enthusiast

What Does 2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)- Smell Like?

This synthetic molecule presents a complex olfactory profile that evolves dramatically from application to dry-down. Initially, there’s a sharp, almost metallic brightness reminiscent of freshly cut chromium, which quickly gives way to a warm, ambery heart with facets of sun-baked leather and vintage parchment. The dry-down reveals an intimate, skin-like quality with whispers of blond tobacco and a faintly animalic muskiness that lingers close to the skin.

Scent Profile
Layer 2

2D Molecular Structure

(+/-)-alpha-Tocopherol

SMILES: CC(C)CCCC(C)CCCC(C)CCCC1(C)CCC2=C(O1)C(C)=C(C)C(O)=C2C

Chemistry, Properties & Perfumer Guide

The Chemistry

This benzopyran derivative belongs to a class of synthetic aromatic compounds designed for perfumery applications. Its complex structure features multiple methyl groups and a long aliphatic side chain that contribute to its unique odor characteristics and substantivity. The molecule is typically synthesized through multi-step organic reactions including alkylation and cyclization processes, with careful control of stereochemistry being crucial for achieving the desired olfactory profile.

Physical & Chemical Properties

Molecular WeightNot publicly available
Boiling PointNot publicly available

Perfumer Guide

Note Position
Base
Volatility
Very low (>24 hours)
Blending
Challenging
ApplicationTypical %RangeNotes
Niche Perfumery0.1-0.5%Up to 1%Used as special effect ingredient
Experimental Blends0.05-0.2%Up to 0.5%Requires careful balancing

Classic Accords

Tip: Use sparingly in woody-amber bases to add depth and diffusion.

Alternatives & Comparisons

1
Ambroxan CAS 6790-58-5

When seeking similar amber-woody effects with better substantivity and safety profile.

2
Iso E Super CAS 54464-57-2

For creating similar woody diffusion effects with more established usage guidelines.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

General reference only. Consult current IFRA Standards Library before formulating.

IFRA Status

No specific IFRA restrictions found, but use is limited due to lack of comprehensive safety data.

GHS Classification

H315 Skin irritation H319 Eye irritation

RIFM Assessment

No RIFM safety assessment available for this specific compound.

Sustainability

As a synthetic material, this ingredient avoids issues associated with natural resource extraction but requires energy-intensive chemical synthesis. The environmental impact depends on production methods and waste management practices at manufacturing facilities.

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References

  1. PubChem Compound Summary PubChem
  2. IFRA Standards Library IFRA

Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.

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Ingredient Data Sheet

CAS 10191-41-0

Physical Properties

Molecular Weight430.7 g/mol🔬 PubChem
LogP (Octanol-Water)10.7🔬 PubChem
Boiling Point200 °C🔬 EPA CompTox
Vapor Pressure0 mmHg @ 25°C📊 OPERA
Flash Point210.2 °C🔬 EPA CompTox
log Kp (skin permeability)2.27💻 Calculated
SMILESCC1=C(C2=C(CCC(O2)(C)CCCC(C)CCCC(C)CCCC(C)C)C(=C1O)C)C🔬 PubChem

Volatility & Performance

Fragrance NoteHeart💻 Calculated

Odor & Flavor

Functional Groupsphenoletheraromatic💻 RDKit
Data Sources & Attribution
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: DTXSID8021355

Physical Properties

Molecular Weight 430.717 g/mol🔬 EPA CompTox
Density 0.95 g/cm^3🔬 EPA CTX
Boiling Point 446.844 °C📊 OPERA
Melting Point 3 °C🔬 EPA CTX
Flash Point 215.711 °C📊 OPERA
Refractive Index 1.495 Dimensionless📊 OPERA
Molar Volume 462.78 cm^3/mol📊 OPERA

Partition & Solubility

LogP (Octanol-Water) 9.858 Log10 unitless📊 OPERA
LogD (pH 5.5) 8.998 Log10 unitless📊 OPERA
LogD (pH 7.4) 9.748 Log10 unitless📊 OPERA
LogKoa (Octanol-Air) 10.29 Log10 unitless📊 OPERA
Water Solubility 0 mol/L📊 OPERA
Henry's Law Constant 0 atm-m3/mole📊 OPERA

Transport Properties

Vapor Pressure 0 mmHg🔬 EPA CTX
Surface Tension 34.677 dyn/cm📊 OPERA
Thermal Conductivity 128.275 mW/(m*K)📊 OPERA

Molecular Descriptors

Topological Polar Surface Area 29.46 Ų💻 Computed
H-Bond Donors 1 count💻 Computed
H-Bond Acceptors 2 count💻 Computed
Rotatable Bonds 12 count💻 Computed
Aromatic Rings 1 count💻 Computed
Molar Refractivity 135.065 cm^3/mol📊 OPERA
Polarizability 53.544 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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