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grapefruit indene
Grapefruit indene is a fragrance compound with citrus and woody notes, used primarily in perfumery for its fresh grapefruit skin and vetiver characteristics.
General Material Description
Grapefruit indene is a bicyclic spiro compound identified by its molecular formula C13H20O. It belongs to the decahydrospiro[furan-indene] class of chemicals and carries various synonyms, including the IFF trade name vigoflor. The compound exhibits a distinctive medium-intensity citrus odor reminiscent of fresh grapefruit peel, complemented by woody and vetiver notes, making it valuable for fragrance formulations. It is a colorless to pale yellow liquid with limited aqueous solubility but good solubility in alcohols. It can be sourced synthetically and is recognized in chemical inventories such as the ECHA REACH and FDA databases. For more detailed molecular information, see its PubChem entry.
Occurrence, Applicability & Potential Uses
While grapefruit indene is not naturally abundant, it is used predominantly as a synthetic fragrance agent due to its fresh citrus and woody aroma quality. This compound finds application in perfuming agents within cosmetics and personal care products, enhancing scents that require grapefruit-like freshness with vetiver undertones. Its usage aligns with IFRA (Global) standards, which permit up to 5% concentration in fragrance concentrates. Due to its organoleptic properties, it is incorporated in formulations to provide amber, citrus, grapefruit, vetiver, and woody odor notes. It is not approved for flavor use.
Physico-Chemical Properties Summary
Grapefruit indene possesses a moderate molecular weight near 192 g/mol and a molecular structure that influences its volatility and solubility. Its boiling point ranges narrowly from 267 to 268°C at atmospheric pressure, indicating moderate thermal stability for a fragrance compound. Vapor pressure is low, approximately 0.014 mmHg at 25°C, suggesting limited volatility at ambient conditions. The estimated logP of about 3.6 indicates moderate lipophilicity, contributing to good solubility in alcohol and limited but measurable solubility in water (estimated 41 mg/L at 25°C). It is flashpoint-rated near 94°C (201°F), reflecting typical flammability for synthetic fragrance ingredients. These properties support its stability and persistence in various cosmetic formulations including lotions, soaps, shampoos, and deodorants.
FAQ
What is grapefruit indene and what are its main properties?
Grapefruit indene is a synthetic fragrance compound classified chemically as decahydrospiro[furan-indene]. It features a medium-strength citrus aroma with woody and vetiver facets, closely resembling fresh grapefruit skin. The compound is a clear to pale yellow liquid with moderate solubility in alcohol and limited water solubility, and is commonly used to impart grapefruit and woody notes in perfumery. It has a molecular formula of C13H20O and a boiling point around 267–268°C.
How and where is grapefruit indene typically used?
Grapefruit indene serves mainly as a fragrance ingredient in personal care and cosmetic products. Its applications include use in perfuming agents such as lotions, soaps, shampoos, deodorants, and fabric softeners. The compound contributes citrus, amber, woody, and vetiver notes to fragrance blends. It is synthetically produced and is incorporated into formulations following the IFRA (Global) code, which sets concentration limits to ensure safe use.
What regulations and safety guidelines apply to grapefruit indene?
Grapefruit indene is subject to safety evaluations and uses guidelines by several regulatory bodies. IFRA (Global) permits its use up to 5% concentration in fragrance concentrates but excludes its use in flavoring applications. It is registered under REACH (EU) with ECHA number 270-887-9, and listed in FDA and other chemical inventories. It is classified in Europe as an irritant for skin and eyes, warranting precautions such as avoiding direct contact and wearing protective clothing during handling. No sensitization was reported at 2.5% concentration in human exposure studies.
US / EU / FDA / JECFA / FEMA / Scholar / Patents
| Google Scholar | Start search |
| Google Books | Start search |
| Google Patents | Start search |
| Perfumer & Flavorists | Start search |
| 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: | 2932.19.0000 |
| ChemSpider: | View |
| EFSA Update of results on the monitoring of furan levels in food: | Read Report |
| EFSA Previous report: Results on the monitoring of furan levels in food: | Read Report |
| EFSA Report of the CONTAM Panel on provisional findings on furan in food: | Read Report |
General Material Information
| Preferred name | grapefruit indene |
| Trivial Name | Decahydrospiro[furan-2(3H),5′-[4,7]methano[5H]indene] |
| Short Description | vigoflor (IFF) |
| Formula | C13 H20 O |
| CAS Number | 68480-11-5 |
| ECHA Number | 270-887-9 |
| FDA UNII | Search |
| Nikkaji Number | J326.636B |
| xLogP3-AA | 3.10 (est) |
| NMR Predictor | External link |
| Synonyms |
|
Suppliers
| Azelis UK | BOC Sciences |
| Ernesto Ventós | IFF |
| Lluch Essence | M&U International |
| Penta International | M&U International LLC |
| Penta International Corporation | Taytonn ASCC |
| Ernesto Ventós S.A. |
PhysChem Properties
| Material listed in food chemical codex | No |
| Molecular weight | 192.30160522461 |
| Boiling Point | 267 to 268°C @ 760 mm Hg |
| Vapor Pressure | 0.014 mmHg @ 25 °C |
| Flash Point TCC Value | 93.89 °C TCC |
| logP (o/w) | 3.648 est |
| Solubility | |
| alcohol | Yes |
| water, 41.28 mg/L @ 25 °C (est) | Yes |
| Stability | |
| alcoholic lotions | Unspecified |
| antiperspirant | Unspecified |
| bleach | Unspecified |
| deo stick | Unspecified |
| detergent | Unspecified |
| fabric softener | Unspecified |
| shampoo | Unspecified |
| soap | Unspecified |
Organoleptic Properties
| Odor Type: Citrus | |
| fresh, citrus, grapefruit peel, rhubarb, vetiver, floral, gardenia | |
| Odor strength | medium |
| Substantivity | 12 hour(s) at 100.00 % |
| Luebke, William tgsc, (2006) | At 100.00 %. fresh citrus grapefruit skin rhubarb vetiver floral gardenia |
| General comment | Dry grapefruit note with vetiver characteristics |
Potential Uses
| Applications | |
| Odor purposes | Amber , Citrus , Grapefruit , Vetiver , Woody |
| Cosmetic purposes | Perfuming agents |
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 24/25 - Avoid contact with skin and eyes. S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S 36 - Wear suitable protective clothing. | |
| 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. | |
| Human Experience: | |
| no sensitization at 2.5% | |
| Oral/Parenteral Toxicity: | |
| Not determined | |
| Dermal Toxicity: | |
| Not determined | |
| 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 grapefruit indene usage levels up to: | |||
| 5.0000 % in the fragrance concentrate. | |||
| Recommendation for grapefruit indene 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):68480-11-5 |
| EPA ACToR:Toxicology Data |
| EPA Substance Registry Services (SRS):Registry |
| Laboratory Chemical Safety Summary :109415 |
| National Institute of Allergy and Infectious Diseases:Data |
| WGK Germany:2 |
| decahydrospiro(furan-2(3H),5'-(4,7)methano(5H)indene) |
| Chemidplus:0068480115 |