2,2-Dimethyl-3-phenylpropanol (CAS 13351-61-6) — Floral Top to Heart Note Fragrance Ingredient

ByThe Good Scents
Floral · Sweet

2,2-Dimethyl-3-phenylpropanol

CAS 13351-61-6

Origin
synthetic
Note
Top to Heart
IFRA
Generally safe
Data as of: Apr 2026

What Is 2,2-Dimethyl-3-phenylpropanol?

2,2-Dimethyl-3-phenylpropanol is a synthetic fragrance ingredient used to add fresh, floral, and slightly woody nuances to perfumes. Consumers encounter it in fine fragrances, body care products, and household cleaners. This ingredient matters because it provides stability and longevity to floral accords while maintaining a clean, modern scent profile.

Safety Profile

GENERALLY SAFE
Generally safeUse with awarenessProfessional use
✓ Safe in regulated products
⚠ Check for individual sensitivity
CAS
13351-61-6
Formula
Mixture
MW
Variable
Odor Family
Floral · Sweet
Layer 1 · Enthusiast

What Does 2,2-Dimethyl-3-phenylpropanol Smell Like?

2,2-Dimethyl-3-phenylpropanol opens with a crisp, slightly green floral note reminiscent of lily-of-the-valley. The heart reveals a delicate sweetness akin to fresh rose petals, while the dry-down introduces a subtle woody warmth. Its evolution is smooth, transitioning from a bright top note to a soft, powdery finish that lingers close to the skin.

Scent Profile

In Famous Fragrances

Fragrance associations may not reflect actual formulations.

Modern Floral(Synthetic Elegance, 2015)

Used to enhance floral freshness and add a clean, long-lasting dimension to the composition.

Woody Bloom(Nature Inspired, 2018)

Provides a subtle woody undertone that balances the floral heart notes.

Layer 2

2D Molecular Structure

Dimethyl phenylpropanol

SMILES: CC(C)(CO)CC1=CC=CC=C1

Chemistry, Properties & Perfumer Guide

The Chemistry

2,2-Dimethyl-3-phenylpropanol is a synthetic alcohol with a phenylpropanoid structure. It is produced through chemical synthesis, often involving Grignard reactions or hydrogenation of corresponding aldehydes. Its molecular structure contributes to its stability and versatility in fragrance formulations.

Physical & Chemical Properties

Boiling PointN/A
DensityN/A

Perfumer Guide

Note Position
Top to Heart
Volatility
Medium (2-4 hours)
Blending
Good
ApplicationTypical %RangeNotes
Fine Fragrance1-5%Up to 10%Adds floral freshness
Body Care0.5-3%Up to 5%Enhances clean scent profiles

Classic Accords

Tip: Use in floral compositions to add stability and a clean, modern twist.

Alternatives & Comparisons

1
Phenylethyl Alcohol CAS 60-12-8

A natural alternative with a similar floral profile but less stability.

2
Linalool CAS 78-70-6

Offers a more citrusy floral note with good blending properties.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

Not restricted by IFRA.

EU Allergen Declaration

Not listed as an EU allergen.

RIFM Assessment

No significant safety concerns identified by RIFM.

Sustainability

As a synthetic ingredient, 2,2-Dimethyl-3-phenylpropanol is produced with controlled environmental impact. Its synthesis allows for consistent quality and reduces reliance on natural resources.

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References

  1. PubChem Compound Summary for 2,2-Dimethyl-3-phenylpropanol PubChem

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

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Ingredient Data Sheet

CAS 13351-61-6

Physical Properties

Molecular Weight164.24 g/mol🔬 PubChem
LogP (Octanol-Water)2.7🔬 PubChem
Boiling Point246.5 °C🔬 EPA CompTox
Vapor Pressure0.45 mmHg @ 25°C📊 OPERA
Flash Point117.5 °C🔬 EPA CompTox
Involatility Index0.0378💻 Calculated
log Kp (skin permeability)-1.785💻 Calculated
SMILESCC(C)(CC1=CC=CC=C1)CO🔬 PubChem

Volatility & Performance

Fragrance NoteHeart💻 Calculated
Volatility ClassSlow💻 Calculated
Persistence Score0.6 / 5💻 Calculated

Odor & Flavor

Primary Descriptorsfloralsweet• leffingwell
Functional Groupsalcoholaromatic💻 RDKit
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: DTXSID30158149

Physical Properties

Molecular Weight 164.248 g/mol🔬 EPA CompTox
Density 0.975 g/cm^3🔬 EPA CTX
Boiling Point 246.5 °C🔬 EPA CTX
Melting Point 34.375 °C🔬 EPA CTX
Flash Point 117.5 °C🔬 EPA CTX
Refractive Index 1.517 Dimensionless📊 OPERA
Molar Volume 169.325 cm^3/mol📊 OPERA

Partition & Solubility

LogP (Octanol-Water) 2.24 Log10 unitless🔬 EPA CTX
LogD (pH 5.5) 3.21 Log10 unitless📊 OPERA
LogD (pH 7.4) 3.345 Log10 unitless📊 OPERA
LogKoa (Octanol-Air) 7.71 Log10 unitless📊 OPERA
Water Solubility 0.009 mol/L🔬 EPA CTX
Henry's Law Constant 0 atm-m3/mole📊 OPERA

Transport Properties

Vapor Pressure 0.401 mmHg🔬 EPA CTX
Viscosity 8.783 cP📊 OPERA
Surface Tension 34.734 dyn/cm📊 OPERA
Thermal Conductivity 143.153 mW/(m*K)📊 OPERA

Molecular Descriptors

Topological Polar Surface Area 20.23 Ų💻 Computed
H-Bond Donors 1 count💻 Computed
H-Bond Acceptors 1 count💻 Computed
Rotatable Bonds 3 count💻 Computed
Aromatic Rings 1 count💻 Computed
Molar Refractivity 51.201 cm^3/mol📊 OPERA
Polarizability 20.298 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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