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cassyrane

Cassyrane is a synthetic 5-tert-butyl-2-methyl-5-propyl-2H-furan with a fruity blackcurrant odor used as a flavor and fragrance agent.

General Material Description

Cassyrane, chemically identified as 5-tert-butyl-2-methyl-5-propyl-2H-furan with the molecular formula C12H22O, is a synthetic compound used in flavor and fragrance applications. This agent is characterized by a rich fruity aroma reminiscent of blackcurrant, supported by notes of eucalyptus buds and anise. It is also referred to by various synonyms including 5-tert-butyl-2-methyl-5-propyl-2H-furan and versions with dihydrofuran derivatives. Cassyrane is documented in authoritative chemical databases such as PubChem. It is typically synthesized for industrial use as a flavoring component and is applied in formulations requiring a natural blackcurrant type scent and taste.

Occurrence, Applicability & Potential Uses

Cassyrane is not naturally occurring but is synthetically manufactured for use primarily in flavor and fragrance industries. Its fruity blackcurrant aroma makes it suitable for incorporation into products requiring such olfactory characteristics, including confectionery frostings, chewing gum, and hard candy, among others, as recognized under the FEMA (US) standard 4731. The compound adheres to regulations relevant to flavoring substances and is evaluated for safety and use levels by organizations such as FEMA and IFRA (Global). Its usage is generally oriented towards enhancing or reproducing natural fruit scents and flavors in complex formulations.

Physico-Chemical Properties Summary

Cassyrane exhibits a molecular weight of approximately 182.31 g/mol and a molecular formula of C12H22O. It possesses moderate lipophilicity, indicated by an estimated logP of approximately 3.87, facilitating its solubility in alcohols and limited solubility in water (estimated at 10.25 mg/L at 25 °C). Physical properties include a boiling point near 217 to 218 °C at standard atmospheric pressure and a flash point of about 177 °C. The compound has a specific gravity ranging roughly from 0.868 to 0.872 at 25 °C and a refractive index between 1.448 and 1.452 at 20 °C. Vapor pressure is relatively low, around 0.196 mmHg at 25 °C, signaling moderate volatility relevant for fragrance release. These properties influence its behavior and stability in formulations, favoring applications where a stable yet perceptible fruity aroma is desired.

FAQ

What is cassyrane and what are its main characteristics?

Cassyrane is a synthetic chemical compound known as 5-tert-butyl-2-methyl-5-propyl-2H-furan, used in flavor and fragrance applications. It is characterized by a fruity blackcurrant-like odor and flavor, supported by subtle notes resembling eucalyptus and anise. With the molecular formula C12H22O, cassyrane contributes a natural fruit-like sensory profile to products. It is recognized under FEMA number 4731 and is employed mainly as a flavoring and aromatic agent in various consumer goods.

How is cassyrane used in industry and what are its typical applications?

Cassyrane is utilized predominantly as a flavor and fragrance agent due to its distinctive blackcurrant aroma and taste. It finds use in products such as chewing gum, confectionery frostings, and hard candies, where a fruity note is desirable. Its physicochemical properties allow incorporation into alcoholic and some aqueous systems, supporting versatility in formulations. Regulatory bodies like FEMA and IFRA oversee its use levels to ensure compliance and safety in consumable and fragranced products.

What regulations and safety information exist for cassyrane in flavor and fragrance uses?

Cassyrane is evaluated for safety and regulated under guidelines including FEMA (US) and IFRA (Global), which provide recommended use limits in various products. The compound does not have classified hazards under OSHA's Globally Harmonized System and lacks identified hazard or precautionary statements. Toxicological data specific to oral, dermal, or inhalation exposure have not been fully determined. However, it is listed as generally recognized as safe (GRAS) for flavor use at specified concentrations. References for detailed toxicology and regulatory status are available via resources such as FEMA Flavor Ingredient Library and RIFM Safety Assessments.

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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Literature & References

Leffingwell:	Chirality or Article
	5-tert-butyl-2-methyl-5-propyl-2H-furan
NIST Chemistry WebBook:	Search Inchi
Pubchem (cid):	11658397
Pubchem (sid):	152711732

Publications by Google Scholar
Comparative Studies on some Blackcurrant Odorants and Fruit Esters using a Combination of Microwave Spectroscopy and Quantum Chemical Calculations
Publications by US Patents
7,632,790 - Trisubstituted furans suitable for the preparation of fragrance compositions

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
ChemSpider:	View
Wikipedia:	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	cassyrane
Trivial Name	5-tert-butyl-2-methyl-5-propyl-2H-furan
Formula	C12 H22 O
CAS Number	871465-49-5
FEMA Number	4731
FDA UNII	K0M5IA152B
Nikkaji Number	J2.243.533G
xLogP3-AA	3.50 (est)
NMR Predictor	External link
JECFA Food Flavoring	2189 cassyrane
FDA Patent	No longer provide for the use of these seven synthetic flavoring substances
Synonyms	5-tert- butyl-2-methyl-5-propyl-2H-furan 2-tert- butyl-5-methyl-2-propyl-2,5-dihydrofuran 2-(tert- butyl)-5-methyl-2-propyl-2,5-dihydrofuran (±)-cis and trans-2-(1,1-dimethylethyl)-2,5-dihydro-5-methyl-2-propylfuran 5-methyl-2-(2-methyl-2-propanyl)-2-propyl-2,5-dihydrofuran

PhysChem Properties

Material listed in food chemical codex	No
Molecular weight	182.30653381348
Specific gravity	@ 25 °C
Pounds per Gallon	7.223 to 7.256
Refractive Index	1.448 to 1.452 @ 20 °C
Boiling Point	217 to 218°C @ 760 mm Hg
Vapor Pressure	0.196 mmHg @ 25 °C
Flash Point TCC Value	80.3 °C TCC
logP (o/w)	3.874 est
Solubility
alcohol	Yes
water, 10.25 mg/L @ 25 °C (est)	Yes

Organoleptic Properties

Odor Type: Fruity
currant black currant, natural, eucalyptus, anise, buchu, leafy, green
General comment	At 10.00 % in dipropylene glycol. blackcurrant, natural, rich, eucalyptus buds, anise, buchu leaves, slightly green
Flavor Type: Fruity
currant black currant, fruity
General comment	Currant black currant

Potential Uses

Applications	flavor and fragrance agents
Odor purposes	Currant black currant

Safety Information

Safety information


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:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice

Use levels for FEMA GRAS flavoring substances on which the FEMA Expert Panel based its judgments that the substances are generally recognized as safe (GRAS).
The Expert Panel also publishes separate extensive reviews of scientific information on all FEMA GRAS flavoring substances and can be found at FEMA Flavor Ingredient Library
publication number: 26
Click here to view publication 26
	average usual ppm	average maximum ppm
baked goods:	-	-
beverages(nonalcoholic):	-	-
beverages(alcoholic):	-	-
breakfast cereal:	-	-
cheese:	-	-
chewing gum:	50.00000	500.00000
condiments / relishes:	-	-
confectionery froastings:	10.00000	50.00000
egg products:	-	-
fats / oils:	-	-
fish products:	-	-
frozen dairy:	-	-
fruit ices:	-	-
gelatins / puddings:	-	-
granulated sugar:	-	-
gravies:	-	-
hard candy:	10.00000	50.00000
imitation dairy:	-	-
instant coffee / tea:	-	-
jams / jellies:	10.00000	20.00000
meat products:	-	-
milk products:	-	-
nut products:	-	-
other grains:	-	-
poultry:	-	-
processed fruits:	-	-
processed vegetables:	-	-
reconstituted vegetables:	-	-
seasonings / flavors:	-	-
snack foods:	-	-
soft candy:	-	-
soups:	-	-
sugar substitutes:	-	-
sweet sauces:	-	-

Safety references

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :11658397

National Institute of Allergy and Infectious Diseases:Data

5-tert-butyl-2-methyl-5-propyl-2H-furan

Chemidplus:0871465495