.beta.,.beta.-Carotene (CAS 7235-40-7) — Citrus None Note Fragrance Ingredient
.beta.,.beta.-Carotene
CAS 7235-40-7
What Is .beta.,.beta.-Carotene?
β,β-Carotene is a naturally occurring pigment found in carrots, sweet potatoes, and many other orange-colored fruits and vegetables. It’s also synthetically produced for use in foods, cosmetics, and supplements. This compound is responsible for the vibrant orange hues in many products and plays a role in vitamin A production in the body.
Safety Profile
GENERALLY SAFEWhat Does .beta.,.beta.-Carotene Smell Like?
β,β-Carotene is virtually odorless in its pure form. While it doesn’t contribute directly to fragrance profiles, its presence can subtly influence the visual perception of scented products. The molecule’s intense orange color can create psychological associations with fresh, natural aromas even when no actual scent is present.
2D Molecular Structure
SMILES: C\C(\C=C\C=C(/C)\C=C\C1=C(C)CCCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)/C=C/C1=C(C)CCCC1(C)C
Chemistry, Properties & Perfumer Guide
The Chemistry
β,β-Carotene is a terpenoid belonging to the carotenoid family, consisting of 40 carbon atoms with multiple conjugated double bonds. This extended conjugation gives it intense color and makes it an effective light absorber. Industrially, it’s synthesized through Wittig reactions or from β-ionone. The all-trans configuration is most common, though some cis-isomers occur naturally.
Physical & Chemical Properties
| Appearance | Deep orange to red crystals or powder |
|---|---|
| Melting Point | 178-180 °C (decomposes) |
| Solubility | Insoluble in water, soluble in organic solvents |
Perfumer Guide
| Application | Typical % | Range | Notes |
|---|---|---|---|
| Cosmetics | 0.1-1% | Up to 5% | Primarily as colorant |
| Food | 10-50 mg/kg | Varies by application | As coloring and nutrient |
Classic Accords
Tip: Use to enhance visual appeal of natural-themed fragrances without affecting scent profile.
Alternatives & Comparisons
Natural alternative for orange coloring, though less stable and with potential allergen concerns.
Safety, Regulatory & Sustainability
⚠ Regulatory Disclaimer
General reference only. Consult current IFRA Standards Library before formulating.
IFRA Status
No IFRA restrictions – primarily used as colorant rather than fragrance ingredient.
RIFM Assessment
RIFM considers β,β-carotene safe for current use levels in fragrances.
Sustainability
Synthetic production avoids agricultural land use and provides consistent quality. Natural extraction from algae or plants is possible but less efficient. The molecule is biodegradable and doesn’t bioaccumulate, making it environmentally favorable.
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References
- Britton, G. (1995). Structure and properties of carotenoids in relation to function. FASEB Journal. PMID 8520624
- Rodriguez-Amaya, D.B. (2016). Food carotenoids: chemistry, biology and technology. Wiley. DOI:10.1002/9781118622223
Data: PubChem (NIH), PubMed, RIFM, IFRA. Last reviewed: Apr 2026.
Report a data errorPhysicochemical Properties
DTXSID: DTXSID3020253
Physical Properties
| Molecular Weight | 536.888 g/mol🔬 EPA CompTox |
| Density | 1.001 g/cm^3🔬 EPA CTX |
| Boiling Point | 655.5 °C🔬 EPA CTX |
| Melting Point | 180.988 °C🔬 EPA CTX |
| Flash Point | 346.05 °C🔬 EPA CTX |
| Refractive Index | 1.566 Dimensionless📊 OPERA |
| Molar Volume | 570.13 cm^3/mol📊 OPERA |
Partition & Solubility
| LogP (Octanol-Water) | 11.582 Log10 unitless📊 OPERA |
| LogD (pH 5.5) | 11.582 Log10 unitless📊 OPERA |
| LogD (pH 7.4) | 11.582 Log10 unitless📊 OPERA |
| LogKoa (Octanol-Air) | 11.68 Log10 unitless📊 OPERA |
| Water Solubility | 0 mol/L🔬 EPA CTX |
| Henry's Law Constant | 0 atm-m3/mole📊 OPERA |
Transport Properties
| Vapor Pressure | 0 mmHg📊 OPERA |
| Surface Tension | 36.36 dyn/cm📊 OPERA |
Molecular Descriptors
| Topological Polar Surface Area | 0 Ų💻 Computed |
| H-Bond Donors | 0 count💻 Computed |
| H-Bond Acceptors | 0 count💻 Computed |
| Rotatable Bonds | 10 count💻 Computed |
| Aromatic Rings | 0 count💻 Computed |
| Molar Refractivity | 185.935 cm^3/mol📊 OPERA |
| Polarizability | 73.71 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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