cis-3-Octenyl Propionate (CAS 94134-03-9) — Mid Note Fragrance Ingredient

ByThe Good Scents



fruity

cis-3-Octenyl Propionate

CAS 94134-03-9

Note
mid
Volatility
medium
MW
184.3
Data as of: Jun 2026

What Is cis-3-Octenyl Propionate?

cis-3-Octenyl Propionate (CAS 94134-03-9) is an aroma chemical used as a fragrance and flavour ingredient. Its odour is described as apple, green and pear, placing it within the fruity family as a mid note with medium volatility. With a molecular weight of 184.3 (formula C11H20O2), it is handled by perfumers as a building block for compositions where a apple 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
94134-03-9
Formula
C11H20O2
MW
184.3
InChIKey
NTQOADMSKSBQCI-FPLPWBNLSA-N
cis-3-Octenyl Propionate 2D structure

cis-3-Octenyl Propionate
C11H20O2
Layer 1 · Enthusiast

What Does cis-3-Octenyl Propionate Smell Like?

The odour profile of cis-3-Octenyl Propionate is reported as apple, green, pear, sweet, earthy, fruity. The dominant facet is its apple 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

3-Octen-1-ol, 1-propanoate, (3Z)-

SMILES: CCCC\C=C/CCOC(=O)CC

Chemistry & Properties

The Chemistry

cis-3-Octenyl Propionate has the molecular formula C11H20O2 and a molecular weight of 184.3 g/mol. Its canonical SMILES representation is CCCC\C=C/CCOC(=O)CC. Its reported log P (XLogP) of 3.08 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 184.3 g/mol
Boiling Point 227.8 °C
Melting Point -43.22 °C
Flash Point 87.62 °C
Density 0.8889 g/cm³
Vapor Pressure 0.05528 mmHg
Water Solubility 0.0004742 g/L
XLogP 3.08

Perfumer Guide

Note Position
Mid
Volatility
Medium
Primary Odour
Apple

Alternatives & Comparisons

Ingredients occupying a similar odour space — useful as substitutes or companions when cis-3-Octenyl Propionate is unavailable or restricted.

1
Nonyl Isovalerate CAS 7786-47-2

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

2
[(E)-hex-3-enyl] 2-methylpropanoate CAS 84682-20-2

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

3
Acetaldehyde Di-cis-3-Hexenyl Acetal CAS 63449-64-9

Shares apple, fruity, green 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

No IFRA restriction recorded in the data set. This is not a guarantee of unrestricted status — always confirm against the current IFRA Standards Library.

GHS Classification

Signal word: Warning

H315H319H335

Odour detection threshold (air): 0.00084 ppb — a literature-curated value indicating its potency in the vapour phase.

Formulating with cis-3-Octenyl Propionate?

Open cis-3-Octenyl Propionate 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.

Report a data error

Physicochemical Properties

DTXSID: DTXSID10888735

Physical Properties

Molecular Weight 184.279 g/mol🔬 EPA CompTox
Density 0.889 g/cm^3📊 OPERA
Boiling Point 228.304 °C📊 OPERA
Melting Point -43.216 °C📊 OPERA
Flash Point 87.621 °C📊 OPERA
Refractive Index 1.442 Dimensionless📊 OPERA
Molar Volume 207.207 cm^3/mol📊 OPERA

Partition & Solubility

LogP (Octanol-Water) 3.865 Log10 unitless📊 OPERA
LogD (pH 5.5) 3.865 Log10 unitless📊 OPERA
LogD (pH 7.4) 3.865 Log10 unitless📊 OPERA
LogKoa (Octanol-Air) 5.88 Log10 unitless📊 OPERA
Water Solubility 0.001 mol/L📊 OPERA
Henry's Law Constant 0 atm-m3/mole📊 OPERA

Transport Properties

Vapor Pressure 0.057 mmHg📊 OPERA
Viscosity 1.879 cP📊 OPERA
Surface Tension 27.629 dyn/cm📊 OPERA
Thermal Conductivity 139.422 mW/(m*K)📊 OPERA

Molecular Descriptors

Topological Polar Surface Area 26.3 Ų💻 Computed
H-Bond Donors 0 count💻 Computed
H-Bond Acceptors 2 count💻 Computed
Rotatable Bonds 7 count💻 Computed
Aromatic Rings 0 count💻 Computed
Molar Refractivity 54.843 cm^3/mol📊 OPERA
Polarizability 21.741 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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