Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)- (CAS 1125-12-8) — Green Middle Note Fragrance Ingredient

ByThe Good Scents
Green · Woody

Bicyclo[3.1.0]_hexan-_3-_one, 4-_methyl-_1-_(1-_methylethyl)_-

CAS 1125-12-8

Origin
synthetic
Note
Middle
IFRA
Generally safe
Data as of: Apr 2026

What Is Bicyclo[3.1.0]_hexan-_3-_one, 4-_methyl-_1-_(1-_methylethyl)_-?

Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)- is a synthetic fragrance compound used in modern perfumery. It’s found in niche and avant-garde fragrances, often as a subtle modifier. This ingredient matters because it adds unique woody-herbaceous nuances that help perfumers create innovative accords.

Safety Profile

GENERALLY SAFE
Generally safeUse with awarenessProfessional use
✓ No major safety concerns reported
⚠ Limited toxicity data available
CAS
1125-12-8
Formula
Mixture
MW
Variable
Odor Family
Green · Woody
Layer 1 · Enthusiast

What Does Bicyclo[3.1.0]_hexan-_3-_one, 4-_methyl-_1-_(1-_methylethyl)_- Smell Like?

This bicyclic ketone presents a complex olfactory profile – opening with crisp, camphoraceous top notes reminiscent of crushed pine needles and eucalyptus. As it develops, subtle woody undertones emerge, like freshly split cedar with a cooling minty facet. The dry-down reveals a clean, slightly herbal character with a faintly resinous quality. Its odor is relatively diffusive but not overpowering, making it useful for adding atmospheric depth without dominating a composition.

Scent Profile
Layer 2

2D Molecular Structure

3-Thujanone

SMILES: CC(C)C12CC1C(C)C(=O)C2

Chemistry, Properties & Perfumer Guide

The Chemistry

Bicyclo[3.1.0]hexan-3-one derivatives belong to the family of bridged bicyclic compounds, structurally related to natural terpenoids. The methyl and isopropyl substituents on the strained bicyclic framework create unique steric and electronic effects that influence its odor properties. Synthesis typically involves cyclization of appropriate precursors under acidic conditions, though specific routes to this exact derivative are proprietary in the fragrance industry.

Physical & Chemical Properties

Boiling PointNot available
DensityNot available

Perfumer Guide

Note Position
Middle
Volatility
Medium (2-4 hours)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance0.5-2%Up to 5%Used as an accent note
Functional Fragrance0.1-1%Up to 3%For air care products

Classic Accords

Tip: Use in trace amounts to enhance woody compositions without introducing excessive sharpness.

Alternatives & Comparisons

1
Norcamphor CAS 497-38-1

Offers similar camphoraceous notes with more pronounced cooling effects.

2
Fenchone CAS 1195-79-5

Provides comparable herbal-woody character with additional spicy facets.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

Not currently restricted by IFRA.

RIFM Assessment

No RIFM assessment publicly available for this specific compound.

Sustainability

As a synthetic material, this compound doesn’t rely on natural resource extraction. However, its environmental impact depends on the specific synthetic route used, which isn’t publicly documented. The fragrance industry is increasingly developing greener synthetic methods that could potentially apply to such specialty ingredients.

Explore Bicyclo[3.1.0]_hexan-_3-_one, 4-_methyl-_1-_(1-_methylethyl)_-

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References

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

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    Ingredient Data Sheet

    CAS 1125-12-8

    Physical Properties

    Molecular Weight152.23 g/mol🔬 PubChem
    LogP (Octanol-Water)2.3🔬 PubChem
    Boiling Point200 °C🔬 EPA CompTox
    log Kp (skin permeability)-1.996💻 Calculated
    SMILESCC1C2CC2(CC1=O)C(C)C🔬 PubChem

    Volatility & Performance

    Fragrance NoteHeart💻 Calculated

    Odor & Flavor

    Functional Groupsketone💻 RDKit

    Regulatory Status

    IFRA ListedYes — see IFRA Standards for category limits⚖️ IFRA 51
    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: DTXSID20859476

    Physical Properties

    Molecular Weight 152.237 g/mol🔬 EPA CompTox
    Density 0.981 g/cm^3📊 OPERA
    Boiling Point 200.5 °C🔬 EPA CTX
    Melting Point 62.32 °C📊 OPERA
    Flash Point 66.338 °C📊 OPERA
    Refractive Index 1.5 Dimensionless📊 OPERA
    Molar Volume 150.832 cm^3/mol📊 OPERA

    Partition & Solubility

    LogP (Octanol-Water) 2.659 Log10 unitless📊 OPERA
    LogD (pH 5.5) 2.659 Log10 unitless📊 OPERA
    LogD (pH 7.4) 2.659 Log10 unitless📊 OPERA
    LogKoa (Octanol-Air) 4.83 Log10 unitless📊 OPERA
    Water Solubility 0.005 mol/L📊 OPERA
    Henry's Law Constant 0 atm-m3/mole🔬 EPA CTX

    Transport Properties

    Vapor Pressure 0.464 mmHg📊 OPERA
    Viscosity 0.828 cP📊 OPERA
    Surface Tension 33.037 dyn/cm📊 OPERA
    Thermal Conductivity 115.673 mW/(m*K)📊 OPERA

    Molecular Descriptors

    Topological Polar Surface Area 17.07 Ų💻 Computed
    H-Bond Donors 0 count💻 Computed
    H-Bond Acceptors 1 count💻 Computed
    Rotatable Bonds 1 count💻 Computed
    Aromatic Rings 0 count💻 Computed
    Molar Refractivity 44.327 cm^3/mol📊 OPERA
    Polarizability 17.573 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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