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costus valerolactone
Costus valerolactone is a lactone compound with a medium, warm fatty animal odor used primarily in fragrance formulations.
General Material Description
Costus valerolactone, also known as 5-butyl-5-ethyltetrahydro-2H-pyran-2-one, is a lactone compound characterized by the molecular formula C11H20O2. Its physical form is typically that of a colorless liquid, notable for its warm fatty, animal-like scent profile. This compound is part of a group of cyclic esters known as valerolactones, commonly applied in fragrance development. The lactone ring imparts a distinct aroma quality that resembles costus root and coconut nuances. It is referenced under multiple synonyms including costaulon and costausol, among others, and can be sourced through synthetic preparation methods or extracted from natural materials. More chemical details can be found on databases such as PubChem for extensive structure and property data.
Occurrence, Applicability & Potential Uses
Costus valerolactone occurs mainly as a synthetic aroma chemical used in the fragrance industry for its specific animalic and warm fatty odor characteristics. It is utilized in creating complex perfume accords that require notes reminiscent of natural costus root, coconut, and amber. Classified under fragrance agents, it finds application in personal care products to impart uniqueness and depth to scent profiles. Usage guidelines recommended by IFRA (Global) support safe incorporation levels up to 4% in fragrance concentrates. Its odor impact complements woody, musk, and oriental fragrance families, enhancing formulations that evoke natural, earthy, and animalic tones.
Physico-Chemical Properties Summary
Costus valerolactone is a cyclic ester with moderate lipophilicity, indicated by an estimated log P of approximately 2.85, suggesting good solubility in organic solvents such as alcohol, carbitol, and dipropylene glycol. It exhibits a boiling range between 125 to 130°C under reduced pressure (5 mm Hg) and 289 to 291°C at atmospheric pressure, emphasizing thermal stability for typical formulation processes. The vapor pressure at 25°C is low, around 3.89 mmHg, informing volatility expectations relevant to scent release. Its flash point is approximately 212°F, indicating moderate flammability precautions during handling. Water solubility is minimal (~138 mg/L at 25°C), often necessitating dilution in co-solvents for aqueous applications. These properties collectively influence its behavior in perfumery and product formulations, affecting diffusion, retention, and sensory impact.
FAQ
What is costus valerolactone and what are its main characteristics?
Costus valerolactone is a synthetic lactone compound with the molecular formula C11H20O2, known chemically as 5-butyl-5-ethyltetrahydro-2H-pyran-2-one. It has a warm, fatty, and animalic odor profile reminiscent of costus root and coconut. This compound is mainly used in fragrance formulations due to its distinctive aroma qualities.
How is costus valerolactone used and what are its solubility properties?
Costus valerolactone is utilized primarily as a fragrance agent to impart animalic, amber, and woody notes in perfumery. It is soluble in common organic solvents like alcohol, carbitol, and dipropylene glycol but exhibits low water solubility, approximately 138 mg/L at 25°C. This influences formulation strategies, generally requiring use in non-aqueous systems or combined solvents for optimal performance.
What regulations govern the use of costus valerolactone and how is its safety assessed?
The International Fragrance Association (IFRA) provides guidelines for the safe use of costus valerolactone, recommending fragrance concentrate levels up to 4%. Safety assessments classify it as an irritant with potential skin and eye irritation. Toxicology data report high LD50 values in oral and dermal tests, indicating low acute toxicity. It is not recommended for flavor use, and standard precautions include using personal protective equipment to avoid irritation.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
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| EU Patents | Start search |
| PubMeb | Start search |
| NCBI | Start search |
Other Information
| (IUPAC): | Atomic Weights of the Elements 2011 (pdf) |
| Videos: | The Periodic Table of Videos |
| tgsc: | Atomic Weights use for this web site |
| (IUPAC): | Periodic Table of the Elements |
| HMDB (The Human Metabolome Database): | Search |
| Export Tariff Code: | 3302.90.0010 |
| ChemSpider: | View |
General Material Information
| Preferred name | costus valerolactone |
| Trivial Name | 5-Butyl-5-ethyltetrahydro-2H-pyran-2-one |
| Short Description | costaulon (PFW) |
| Formula | C11 H20 O2 |
| CAS Number | 67770-79-0 |
| ECHA Number | 267-048-4 |
| FDA UNII | EZ42EBM554 |
| Nikkaji Number | J317.108F |
| xLogP3-AA | 3.20 (est) |
| NMR Predictor | External link |
| Synonyms |
|
Suppliers
| PCW France | SRS Aromatics |
| The John D. Walsh Company | The Perfumers Apprentice |
| SRS Aromatics Ltd |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 184.27879333496 |
| Boiling Point | 125 to 130°C @ 5 mm Hg |
| Boiling Point | 289 to 291°C @ 760 mm Hg |
| Vapor Pressure | 3.89 mmHg @ 25 °C |
| Flash Point TCC Value | 100 °C TCC |
| logP (o/w) | 2.849 est |
| Solubility | |
| alcohol | Yes |
| carbitol | Yes |
| dipropylene glycol | Yes |
| water, 138.1 mg/L @ 25 °C (est) | Yes |
| water | No |
Organoleptic Properties
| Odor Type: Animal | |
| warm, fatty, animal, costus, rooty, coconut | |
| Odor strength | medium , recommend smelling in a 10.00 % solution or less |
| Substantivity | 400 hour(s) at 100.00 % |
| Luebke, William tgsc, (1985) | At 10.00 % in dipropylene glycol. warm fatty animal costus root coconut |
Potential Uses
| Applications | |
| Odor purposes | Amber , Animal , Bark , Bayberry , Birch tar , Carnation , Carrot seed , Castoreum , Chestnut blossom , Chypre , Coconut , Coconut tropical coconut , Coronilla , Cortex , Costus , Country meadow , Cumin oil replacer , Dahlia , Daisy , Daphne , Deertongue absolute replacer , Earth , Fenugreek , Fern , Fir balsam , Flouve , Foliage , Forest , Fungus , Guaiacwood , Habuba , Hawthorn , Heather , Incense , Labdanum , Leather , Moss , Musk , Oriental , Orris , Petunia , Pomegranate , Powder , Privet , Privet blossom , Rose d'orient , Stephanotis , Sweet grass , Tobacco , Tonka bean , Woodruff , Woody |
| Flavoring purposes | Artichoke , Birch tar , Carrot seed , Corn chip , Fenugreek , Guaiacwood , Nut , Tea |
| Other purposes | Clean , Fantasy blends , Fecal , Hair , Straw , Truffle , Wool |
| Cosmetic purposes | Perfuming agents , Tonic |
Safety Information
Safety information
| European information : | |
| Most important hazard(s): | |
| Xi - Irritant | |
| R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36/39 - Wear suitable clothing and eye/face protection. | |
| Hazards identification | |
| Classification of the substance or mixture | |
| GHS Classification in accordance with 29 CFR 1910 (OSHA HCS) | |
| None found. | |
| GHS Label elements, including precautionary statements | |
| Pictogram | |
| Hazard statement(s) | |
| None found. | |
| Precautionary statement(s) | |
| None found. | |
| Oral/Parenteral Toxicity: | |
| oral-rat LD50 > 5000 mg/kg PFW Aroma Chemicals | |
| Dermal Toxicity: | |
| skin-rabbit LD50 > 5000 mg/kg PFW Aroma Chemicals | |
| Inhalation Toxicity: | |
| Not determined | |
Safety in use information
| Category: | |||
| fragrance agents | |||
| RIFM Fragrance Material Safety Assessment: Search | |||
| IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice | |||
| Recommendation for costus valerolactone usage levels up to: | |||
| 4.0000 % in the fragrance concentrate. | |||
| Recommendation for costus valerolactone flavor usage levels up to: | |||
| not for flavor use. | |||
Safety references
| EPI System: View |
| AIDS Citations:Search |
| Cancer Citations:Search |
| Toxicology Citations:Search |
| EPA Substance Registry Services (TSCA):67770-79-0 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :106787 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| 5-butyl-5-ethyloxan-2-one |
| Chemidplus:0067770790 |