Dimethylbenzyl Carbinol (CAS 617-94-7) — Floral Heart Note Fragrance Ingredient

Dimethylbenzyl Carbinol

CAS 617-94-7

Origin
Note
IFRA
Generally safe
Data as of: Mar 2026

What Is Dimethylbenzyl Carbinol?

Dimethylbenzyl carbinol is a synthetic aroma chemical with a fresh, floral scent reminiscent of lilac and lily of the valley. It’s commonly used in soaps, detergents, and perfumes to add a clean, slightly sweet floral character. This versatile ingredient helps create the illusion of natural floral bouquets while providing excellent stability in various product formulations.

Safety Profile

GENERALLY SAFE
Generally safeUse with awarenessProfessional use
No significant restrictions
Mild skin sensitivity possible at high concentrations
CAS
617-94-7
Formula
Mixture
MW
Variable
Odor Family
Layer 1 · Enthusiast

What Does Dimethylbenzyl Carbinol Smell Like?

Dimethylbenzyl carbinol opens with a crisp, green floralcy reminiscent of crushed lily stems, quickly blooming into a sweet lilac-like heart with subtle citrus undertones. The dry-down reveals a clean, slightly powdery muskiness that lingers close to the skin. Its character is both delicate and tenacious – like freshly laundered linen infused with a vase of spring flowers. The scent profile maintains remarkable clarity throughout evaporation, never becoming cloying or overly sweet.

Scent Profile

In Famous Fragrances

Fragrance associations may not reflect actual formulations.

White Linen(Estée Lauder, 1978)

Used as a key floral modifier to create the crisp, clean linen accord that defines this classic fragrance. Provides the illusion of fresh laundry with floral sophistication.

L'Air du Temps(Nina Ricci, 1948)

Helps bridge the carnation and jasmine notes with its versatile floral character, adding lift to the spicy-floral heart.

Calèche(Hermès, 1961)

Contributes to the chypre’s floral bouquet with its clean, slightly green floralcy that balances the oakmoss base.

Eau Dynamisante(Clarins, 1987)

Provides subtle floral freshness in this aromatic tonic, complementing the citrus and herbal notes without overwhelming.

Cool Water(Davidoff, 1988)

Used in trace amounts to enhance the floral aspects of the lavender and reinforce the aquatic freshness.

Layer 2

2D Molecular Structure

2-Phenylpropan-2-ol

SMILES: CC(C)(O)C1=CC=CC=C1

Chemistry, Properties & Perfumer Guide

The Chemistry

Dimethylbenzyl carbinol (DMBC) is a tertiary alcohol with the chemical formula C10H14O. While it can theoretically be derived from natural sources, commercial production is exclusively synthetic, typically through the Grignard reaction between benzylmagnesium chloride and acetone. The molecule’s stability comes from its tertiary alcohol structure, making it resistant to oxidation compared to primary alcohols. Its floral character stems from the aromatic benzyl group combined with the oxygen-bearing carbon that creates hydrogen bonding potential with olfactory receptors.

Physical & Chemical Properties

AppearanceColorless to pale yellow liquid
Boiling Point215-217 °C
Density0.98 g/cm³
Refractive Index1.512-1.517
SolubilitySlightly soluble in water, miscible with alcohol and oils

Perfumer Guide

Note Position
Heart
Volatility
Medium (2-4 hours)
Blending
Very good
ApplicationTypical %RangeNotes
Fine Fragrance1-3%Up to 5%Floral bouquet builder
Soap/Detergent0.5-2%Up to 3%Provides stable floral character
Shampoo0.2-1%Up to 1.5%Clean floral impression
Household0.1-0.5%Up to 1%Freshness enhancer

Classic Accords

+ Lilial + Lyral = Modern floral bouquet + Benzyl acetate + Linalool = Classic lilac accord + Citronellol + Phenylethyl alcohol = Rose-lily hybrid

Tip: Use with citrus top notes to prevent the floral character from becoming too heavy or powdery.

Alternatives & Comparisons

1
Benzyl alcohol CAS 100-51-6

For a simpler, less sweet floral character with more focus on the benzyl aspect.

2
Phenethyl alcohol CAS 60-12-8

When a rosier, honeyed floral note is desired instead of the lily-like quality.

3
Lilial CAS 80-54-6

For a more intense, diffusive floral aldehyde character when regulations allow.

Layer 3

Safety, Regulatory & Sustainability

⚠ Regulatory Disclaimer

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

IFRA Status

No restrictions under current IFRA standards (as of 49th Amendment).

GHS Classification

H315 Skin irritation H319 Eye irritation

RIFM Assessment

Reviewed by RIFM with no significant safety concerns at typical usage levels.

Sustainability

As a purely synthetic material, dimethylbenzyl carbinol’s environmental impact comes primarily from its petroleum-derived feedstocks. However, its production requires relatively simple chemistry with good atom economy. The material’s stability and potency mean it’s used at low levels, reducing overall environmental load compared to less potent alternatives. Some manufacturers are exploring bio-based routes using fermentation-derived precursors.

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References

  1. Arctander, S. (1969). Perfume and Flavor Chemicals. Allured Publishing.
  2. Burdock, G.A. (2010). Fenaroli’s Handbook of Flavor Ingredients. CRC Press.
  3. IFRA Standards Library. 49th Amendment. Link

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

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Ingredient Data Sheet

CAS 617-94-7

Physical Properties

Molecular Weight136.19 g/mol🔬 PubChem
LogP (Octanol-Water)1.8🔬 PubChem
Boiling Point202 °C🔬 EPA CompTox
Vapor Pressure0.52 mmHg @ 25°C📊 OPERA
Flash Point87.2 °C🔬 EPA CompTox
Involatility Index0.048💻 Calculated
log Kp (skin permeability)-2.253💻 Calculated
SMILESCC(C)(C1=CC=CC=C1)O🔬 PubChem

Volatility & Performance

Fragrance NoteTop💻 Calculated
Volatility ClassSlow💻 Calculated
Persistence Score0.5 / 5💻 Calculated

Odor & Flavor

Primary Descriptorsfattyfloralgreenherbalwoody• leffingwell
Functional Groupsalcoholaromatic💻 RDKit
“H,,C—f4H Rosy-woody odor, somewhat fattier than that of Phenylethyl alcohol, and with a pleas- ant green-woody undertone.”📖 Arctander
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: DTXSID3027247

Physical Properties

Molecular Weight 136.194 g/mol🔬 EPA CompTox
Density 0.976 g/cm^3🔬 EPA CTX
Boiling Point 199.683 °C🔬 EPA CTX
Melting Point 33.85 °C🔬 EPA CTX
Flash Point 87.083 °C🔬 EPA CTX
Refractive Index 1.518 Dimensionless📊 OPERA
Molar Volume 137.12 cm^3/mol📊 OPERA

Partition & Solubility

LogP (Octanol-Water) 2.11 Log10 unitless📊 OPERA
LogD (pH 5.5) 2.055 Log10 unitless📊 OPERA
LogD (pH 7.4) 2.11 Log10 unitless📊 OPERA
LogKoa (Octanol-Air) 6.06 Log10 unitless📊 OPERA
Water Solubility 0.052 mol/L📊 OPERA
Henry's Law Constant 0 atm-m3/mole📊 OPERA

Transport Properties

Vapor Pressure 0.195 mmHg🔬 EPA CTX
Viscosity 3.793 cP📊 OPERA
Surface Tension 33.829 dyn/cm📊 OPERA
Thermal Conductivity 142.493 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 1 count💻 Computed
Aromatic Rings 1 count💻 Computed
Molar Refractivity 41.542 cm^3/mol📊 OPERA
Polarizability 16.469 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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