Methyl 2-octynoate (CAS 0111-12-6) — Green Top Note Fragrance Ingredient

ByThe Good Scents
Green · Floral

Methyl 2-octynoate

CAS 0111-12-6

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

What Is Methyl 2-octynoate?

Methyl 2-octynoate is a synthetic fragrance ingredient used to add fresh, green, and violet-like nuances to perfumes. You’ll encounter it in modern floral and fougère compositions. This ester brings a crisp, slightly metallic edge that perfumers use to create lift and diffusion in top notes.

Safety Profile

USE WITH AWARENESS
Generally safeUse with awarenessProfessional use
✓ IFRA approved within limits
⚠ Moderate skin sensitization potential
CAS
0111-12-6
Formula
Mixture
MW
Variable
Odor Family
Green · Floral
Layer 1 · Enthusiast

What Does Methyl 2-octynoate Smell Like?

Methyl 2-octynoate bursts with a sharp, green violet leaf character – imagine crushed stems with a metallic shimmer. The opening has a cooling, almost mentholated effect before softening into a floral heart reminiscent of ionones. Dry-down reveals subtle woody-ambery facets with remarkable tenacity for such a volatile material. Its piercing quality makes it invaluable for cutting through dense compositions.

Scent Profile

In Famous Fragrances

Fragrance associations may not reflect actual formulations.

Cool Water(Davidoff, 1988)

Used here to amplify the fresh aquatic effect, pairing with calone to create the signature metallic-marine shimmer that defined 90s masculines.

Envy(Gucci, 1997)

Provides crisp contrast to the lush floral heart, preventing the composition from becoming overly sweet or powdery.

Layer 2

Chemistry, Properties & Perfumer Guide

The Chemistry

Methyl 2-octynoate is a straight-chain ester featuring a terminal alkyne group. The triple bond contributes to its distinctive sharpness and reactivity. Industrially produced via esterification of 2-octynoic acid with methanol under acidic conditions. The synthesis requires careful control to prevent polymerization of the alkyne moiety. No known natural occurrence.

Physical & Chemical Properties

Boiling Point~220 °C (estimated)
Density~0.92 g/cm³ (estimated)

Perfumer Guide

Note Position
Top
Volatility
Medium (1-2 hours)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance0.1-0.5%Up to 1%Powerful modifier
Functional Fragrance0.01-0.1%Up to 0.2%For lift in detergents

Classic Accords

+ Ionones = Violet reconstruction + Calone = Aquatic metallic effect

Tip: Use sparingly in citrus accords to prevent excessive sharpness.

Alternatives & Comparisons

1
Methyl 2-nonynoate CAS 111-80-8

Longer chain version with softer, more floral character and reduced metallic edge.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

No specific restrictions under IFRA 51st Amendment. General ester precautions apply.

GHS Classification

H315 Skin irritation

RIFM Assessment

Evaluated by RIFM in 1985 with no major concerns at typical usage levels.

Sustainability

Purely synthetic production minimizes environmental impact compared to natural alternatives. No known ecological toxicity concerns at current usage volumes.

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References

  1. Arctander S. (1969). Perfume and Flavor Chemicals. Allured Publishing.

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

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Ingredient Data Sheet

CAS 0111-12-6

Physical Properties

Molecular Weight154.21 g/mol🔬 PubChem
LogP (Octanol-Water)3.2🔬 PubChem
log Kp (skin permeability)-1.369💻 Calculated

Odor & Flavor

Primary Descriptorsviolet• leffingwell
“CHa(CHz)2CX(CH2)zC00-CH8 Powerful green-vegetable, Cucumber-like C~HlqOz = 154.21 odor with a fruity-juicy undertone. a fresher, more vegetable-green odor.”📖 Arctander

Sensory Thresholds

Odor Detection Threshold0.0006 ppm (n=3)📖 van Gemert
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.

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