2H-1-Benzopyran-6-ol, 3,4-dihydro-2,5,7,8-tetramethyl-2-(4,8,12-trimethyltridecyl)-, acetate (CAS 7695-91-2) — 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)-, acetate

CAS 7695-91-2

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)-, acetate?

This synthetic compound is a specialized fragrance ingredient primarily used in high-end perfumery. It’s rarely encountered in everyday products but may appear in niche fragrances. The material offers perfumers a unique tool for creating complex, long-lasting scents with subtle woody and balsamic nuances.

Safety Profile

USE WITH AWARENESS
Generally safeUse with awarenessProfessional use
✓ Stable in formulations
⚠ Limited safety data available
CAS
7695-91-2
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)-, acetate Smell Like?

This synthetic molecule presents a sophisticated aromatic profile with layered characteristics. Initially, it reveals faint woody undertones reminiscent of aged cedar chests, gradually unfolding into a delicate balsamic sweetness akin to sun-warmed amber resin. The dry-down exhibits remarkable tenacity, leaving traces of a refined, slightly powdery musk that lingers close to the skin.

Scent Profile
Layer 2

2D Molecular Structure

Acetic acid alpha-tocopherol

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

Chemistry, Properties & Perfumer Guide

The Chemistry

This benzopyran derivative belongs to the chromanol class, structurally related to tocopherols (vitamin E). The acetate ester enhances its stability and modifies its olfactory properties. Synthetic production typically involves multi-step organic synthesis starting from trimethylhydroquinone and isophytol, with careful control of stereochemistry at the chroman ring junction.

Physical & Chemical Properties

Perfumer Guide

Note Position
Base
Volatility
Very low (24+ hours)
Blending
Specialized
ApplicationTypical %RangeNotes
Fine Fragrance0.1-0.5%Up to 1%Used as fixative and nuance enhancer

Classic Accords

Tip: Use sparingly in oriental bases to add depth without overwhelming other components.

Alternatives & Comparisons

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

Not currently restricted by IFRA standards.

RIFM Assessment

No RIFM safety assessment currently available for this specific compound.

Sustainability

As a synthetic material, this ingredient avoids natural resource depletion but requires energy-intensive production. Its persistence in the environment has not been thoroughly studied. Responsible disposal practices should be followed given its complex molecular structure.

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

Browse essential oils and aroma compounds.

Browse on iHerb →

Affiliate disclosure: we may earn a small commission at no extra cost to you.

References

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

    Report a data error

    Ingredient Data Sheet

    CAS 7695-91-2

    Physical Properties

    Molecular Weight472.7 g/mol🔬 PubChem
    LogP (Octanol-Water)10.8🔬 PubChem
    Boiling Point412 °C🔬 EPA CompTox
    Vapor Pressure0 mmHg @ 25°C📊 OPERA
    Flash Point257 °C🔬 EPA CompTox
    log Kp (skin permeability)2.085💻 Calculated
    SMILESCC1=C(C(=C(C2=C1OC(CC2)(C)CCCC(C)CCCC(C)CCCC(C)C)C)OC(=O)C)C🔬 PubChem

    Volatility & Performance

    Fragrance NoteBase💻 Calculated

    Odor & Flavor

    Functional Groupsesteretheraromatic💻 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: DTXSID20859032

    Physical Properties

    Molecular Weight 472.754 g/mol🔬 EPA CompTox
    Density 0.962 g/cm^3🔬 EPA CTX
    Boiling Point 455.613 °C📊 OPERA
    Melting Point -23.714 °C🔬 EPA CTX
    Flash Point 241.25 °C🔬 EPA CTX
    Refractive Index 1.488 Dimensionless📊 OPERA
    Molar Volume 501.979 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 9.835 Log10 unitless📊 OPERA
    LogD (pH 5.5) 9.835 Log10 unitless📊 OPERA
    LogD (pH 7.4) 9.835 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 11.68 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 33.706 dyn/cm📊 OPERA
    Thermal Conductivity 130.807 mW/(m*K)📊 OPERA

    Molecular Descriptors

    Topological Polar Surface Area 35.53 Ų💻 Computed
    H-Bond Donors 0 count💻 Computed
    H-Bond Acceptors 3 count💻 Computed
    Rotatable Bonds 13 count💻 Computed
    Aromatic Rings 1 count💻 Computed
    Molar Refractivity 144.524 cm^3/mol📊 OPERA
    Polarizability 57.294 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.

    Similar Posts