(1S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one (CAS 76231-76-0) — Mid Note Fragrance Ingredient

ByThe Good Scents



terpenic

(1S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one

CAS 76231-76-0

Note
mid
Volatility
high
MW
152.2
Data as of: Jun 2026

What Is (1S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one?

(1S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one (CAS 76231-76-0) is an aroma chemical used as a fragrance and flavour ingredient. Its odour is described as menthol, minty and herbaceous, placing it within the terpenic family as a mid note with high volatility. With a molecular weight of 152.2 (formula C10H16O), it is handled by perfumers as a building block for compositions where a menthol character is desired. The data below is compiled from public chemical and regulatory sources.

Safety Profile

USE WITH AWARENESS

Generally safeUse with awarenessProfessional use
CAS
76231-76-0
Formula
C10H16O
MW
152.2
InChIKey
USMNOWBWPHYOEA-VWHDNNRLSA-N
(1S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one 2D structure

(1S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one
C10H16O
Layer 1 · Enthusiast

What Does (1S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one Smell Like?

The odour profile of (1S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one is reported as menthol, minty, herbaceous, camphoraceous, woody, fresh. The dominant facet is its menthol character, with the remaining notes adding nuance and complexity. As a mid note it contributes to the heart of a fragrance. Perceived intensity and exact character depend on concentration, the carrier and the surrounding accord.

Scent Profile

Profile derived from public odour-descriptor data; relative, not absolute.

Layer 2

2D Molecular Structure

alpha,beta-Thujone

SMILES: [H][C@]12C[C@]1(CC(=O)C2C)C(C)C

Chemistry & Properties

The Chemistry

(1S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one has the molecular formula C10H16O and a molecular weight of 152.2 g/mol. Its canonical SMILES representation is CC1[C@H]2C[C@]2(CC1=O)C(C)C. Its reported log P (XLogP) of 2.30 indicates a lipophilic, oil-soluble molecule, which informs how it partitions in a formula. Physical constants below are drawn from PubChem and EPA CompTox public datasets.

Physical & Chemical Properties

Molecular Weight 152.2 g/mol
Boiling Point 200.6 °C
Melting Point 62.32 °C
Flash Point 66.34 °C
Density 0.915 g/cm³
Vapor Pressure 0.4169 mmHg
Water Solubility 0.0033 g/L
XLogP 2.30

Perfumer Guide

Note Position
Mid
Volatility
High
Primary Odour
Menthol

Alternatives & Comparisons

Ingredients occupying a similar odour space — useful as substitutes or companions when (1S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one is unavailable or restricted.

1
2,9-dimethyl-6-propan-2-yl-1-oxaspiro[4.5]deca-3,9-diene CAS 89079-92-5

Shares green, woody, fresh character — a candidate substitute or companion in the same odour space.

2
5-methyl-2-propan-2-yl-N-(2-pyridin-2-ylethyl)cyclohexane-1-carboxamide CAS 847565-09-7

Shares green, menthol, minty character — a candidate substitute or companion in the same odour space.

3
N-P-Benzeneacetonitrilementhanecarboxamide CAS 852379-28-3

Shares green, menthol, minty character — a candidate substitute or companion in the same odour space.

Layer 3

Safety & Regulatory

⚠ Regulatory Disclaimer

General reference only. IFRA, REACH and EU Cosmetics Regulation standards update periodically. Consult the current IFRA Standards Library before formulating. Not legal or regulatory advice.

IFRA Status

Subject to an IFRA restriction (51st Amendment) — maximum use levels apply by product category. Consult the current IFRA Standards Library before formulating.

GHS Classification

Signal word: Danger

H301H311H315H317H319H331H334H335
Formulating with (1S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one?

Open (1S,5R)-4-methyl-1-propan-2-ylbicyclo[3.1.0]hexan-3-one in Fragrance Studio (Pro) for the calibrated vapour-pressure curve, the modelled odour-threshold estimate, and the substitute-matching engine across 2,900+ aromachemicals.

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References & Sources

  1. PubChem Compound Summary (NIH) — search by InChIKey
  2. EPA CompTox Chemicals Dashboard — physicochemical & fate data
  3. IFRA Standards Library (49th / 51st Amendment)
Sources: PubChem (NIH) · EPA CompTox · IFRA Standards Library · public GHS classification. Odour descriptors are original editorial summaries of public profiles, not reproduced from any single proprietary source.

Data: PubChem (NIH), EPA CompTox, IFRA. Last reviewed: Jun 2026.

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Ingredient Data Sheet

CAS 76231-76-0

Physical Properties

Molecular Weight152.23 g/mol🔬 PubChem
LogP (Octanol-Water)2.3🔬 PubChem
Boiling Point203 °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: DTXSID3040774

Physical Properties

Molecular Weight 152.237 g/mol🔬 EPA CompTox
Density 0.981 g/cm^3📊 OPERA
Boiling Point 202.713 °C📊 OPERA
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📊 OPERA

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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