Woody · Citrus

2-Octanol

CAS 123-96-6

Origin

synthetic

Note

Base

IFRA

Generally safe

Data as of: Apr 2026

What Is 2-Octanol?

2-Octanol is a synthetic alcohol used as a solvent and fragrance ingredient. It’s found in cleaning products, industrial fragrances, and some cosmetics. This ingredient matters because it helps stabilize other fragrance components while contributing a mild, waxy odor profile.

Safety Profile

GENERALLY SAFE

Generally safeUse with awarenessProfessional use

✓ Low toxicity in regulated concentrations

⚠ Avoid direct skin contact in pure form

CAS

123-96-6

Formula

Mixture

Variable

Odor Family

Woody · Citrus

Layer 1 · Enthusiast

What Does 2-Octanol Smell Like?

2-Octanol presents a faintly waxy, slightly fatty odor with subtle citrus undertones. The scent evolves minimally over time, maintaining its clean, neutral character without significant dry-down transformation. Comparable to diluted candle wax with a whisper of orange peel, it serves more as a background player than a starring role.

Scent Profile

Layer 2

2D Molecular Structure

SMILES: CCCCCCC(C)O

Chemistry, Properties & Perfumer Guide

The Chemistry

2-Octanol is a secondary eight-carbon alcohol (C8H18O) belonging to the aliphatic alcohol family. Industrially produced through hydroformylation of heptene followed by hydrogenation, it exists as four stereoisomers due to its chiral center at the second carbon. The racemic mixture is most commonly used in fragrance applications.

Physical & Chemical Properties

Boiling Point	178-180 °C
Density	0.82 g/cm³
Flash Point	73 °C

Perfumer Guide

Note Position

Base

Volatility

Low

Blending

Fair

Application	Typical %	Range	Notes
Functional Fragrances	1-3%	Up to 5%	Solvent properties
Industrial Cleaners	0.5-2%	Up to 3%	Deodorizing effect

Classic Accords

+ Citrus oils = Cleaner profiles + Musk = Waxy depth

Tip: Use as a neutral diluent for sharper fragrance ingredients.

Alternatives & Comparisons

1-Octanol CAS 111-87-5

Primary alcohol alternative with stronger waxy character.

2-Ethylhexanol CAS 104-76-7

More branched structure offering different volatility profile.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

No IFRA restrictions currently apply to 2-Octanol.

GHS Classification

H315 Causes skin irritation H319 Causes serious eye irritation

RIFM Assessment

RIFM has evaluated 2-Octanol as safe for current fragrance use levels.

Sustainability

Synthesized from petrochemical feedstocks, 2-Octanol’s environmental impact is moderate. Production energy requirements are offset by its stability and low usage rates in formulations. No known bioaccumulation concerns.

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References

PubChem Compound Summary for 2-Octanol CID 123456
IFRA Standards Library IFRA 2023

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

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PRODUCT APPLICATIONS

Fine Perfumery Soap Candles Shower Gel Air Fresheners Detergent Fabric Softener Cosmetics Shampoo Cleaners

FRAGRANCE ACCORDS

Fougère Chypre Oriental Gourmand Woody Amber Aquatic Aromatic Leather Floral Citrus Powdery Green Fresh/Clean

Browse Full Catalog → IFRA Guidelines →

Ingredient Data Sheet

CAS 123-96-6

Physical Properties

Molecular Weight	130.23 g/mol🔬 PubChem
LogP (Octanol-Water)	2.9🔬 PubChem
Boiling Point	179 °C🔬 EPA CompTox
Vapor Pressure	0.24 mmHg @ 25°C📊 OPERA
Flash Point	76 °C🔬 EPA CompTox
Involatility Index	0.0227💻 Calculated
log Kp (skin permeability)	-1.435💻 Calculated
SMILES	CCCCCCC(C)O🔬 PubChem

Volatility & Performance

Fragrance Note	Heart💻 Calculated
Volatility Class	Slow💻 Calculated
Persistence Score	1 / 5💻 Calculated

Odor & Flavor

Primary Descriptors	earthyfloralgreenleafy• leffingwell
Functional Groups	alcohol💻 RDKit
“Odor descriptions reported or published on this chemical vary enormously. The main reason must be sought in the fact that the material is offered in a "technical" grade, very inexpensive, from several petrochemical companies, while certain perfume chemical manufacturers may offer material of their own production. The two types of product are quite different in chemical purity and composition.”📖 Arctander
2-Octanol has a characteristically disagreeable, but aromatic odor.📖 Fenaroli

Flavor Notes (Arctander)

“The taste (of the relatively pure material) is slightly musty, green and remotely fruity, Trace amounts are used in imitation Black-currant flavor or certain types of Nut flavor, particularly Walnut (musty note), and in Coriander condiments.”📖 Arctander

Sensory Thresholds

Odor Detection Threshold

0.123 ppm (n=9)📖 van Gemert

Regulatory Status

FEMA Number	FEMA 2801⚖️ FEMA GRAS
GRAS Status	Generally Recognized as Safe⚖️ FEMA GRAS
IOFI Classification	Nature Identical📖 Fenaroli

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: DTXSID0027014

Physical Properties

Molecular Weight	130.231 g/mol🔬 EPA CompTox
Density	0.817 g/cm^3🔬 EPA CTX
Boiling Point	179.019 °C🔬 EPA CTX
Melting Point	-24.594 °C🔬 EPA CTX
Flash Point	75.569 °C🔬 EPA CTX
Refractive Index	1.426 Dimensionless📊 OPERA
Molar Volume	158.472 cm^3/mol📊 OPERA

Partition & Solubility

LogP (Octanol-Water)	2.881 Log10 unitless🔬 EPA CTX
LogD (pH 5.5)	2.837 Log10 unitless📊 OPERA
LogD (pH 7.4)	2.837 Log10 unitless📊 OPERA
LogKoa (Octanol-Air)	5.77 Log10 unitless📊 OPERA
Water Solubility	0.008 mol/L🔬 EPA CTX
Henry's Law Constant	0 atm-m3/mole🔬 EPA CTX

Transport Properties

Vapor Pressure	0.284 mmHg🔬 EPA CTX
Viscosity	4.709 cP📊 OPERA
Surface Tension	27.033 dyn/cm📊 OPERA
Thermal Conductivity	145.756 mW/(m*K)📊 OPERA

Molecular Descriptors

Topological Polar Surface Area	20.23 Å²💻 Computed
H-Bond Donors	1 count💻 Computed
H-Bond Acceptors	1 count💻 Computed
Rotatable Bonds	5 count💻 Computed
Aromatic Rings	0 count💻 Computed
Molar Refractivity	40.605 cm^3/mol📊 OPERA
Polarizability	16.097 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.

Related Research

2-Octanol (CAS 123-96-6) — Woody Base Note Fragrance Ingredient

2-Octanol