nerolin fragarol

Nerolin fragarol, chemically known as 2-(2-methylpropoxy)naphthalene, is a synthetic aromatic ether classified as beta-naphthyl isobutyl ether. It appears as a colorless to pale liquid with a molecular formula of C₁₄H₁₆O and a molecular weight of 200.28 g/mol. This compound exhibits a medium-strength floral odor with sweet, naphthyl, strawberry, fruity, and orange blossom nuances. It is also recognized for its fruity flavor profile reminiscent of strawberry and grape notes. The substance is known under various synonyms, such as isobutyl 2-naphthyl ether and 2-isobutoxynaphthalene. Its chemical and sensory properties make it valuable for use in flavor and fragrance formulations. Nerolin fragarol is typically manufactured through chemical synthesis. More detailed chemical data is available through authoritative databases such as PubChem.

Nerolin fragarol does not occur naturally but is synthetically produced for use primarily in flavor and fragrance applications. It contributes characteristic fruity and floral notes evocative of neroli, orange blossom, strawberry, blackberry, blueberry, and raspberry aromas. This ether is often employed as a fixer in perfumes to enhance longevity and substantivity, which has been measured at approximately 116 hours at full concentration. It is utilized in formulations regulated by IFRA (International Fragrance Association, Global), which sets usage limits to ensure safety in consumer products. In the flavor industry, it appears within FEMA (Flavor and Extract Manufacturers Association, US) guidelines. These standards enable its application in various products including perfuming agents and flavorings for beverages, confectionery, and related goods where fruity and floral nuances are desired.

Nerolin fragarol has a molecular weight of 200.28 g/mol and a molecular formula C₁₄H₁₆O, which informs its formulation behavior. It exhibits a melting point between 32 and 33 °C and a boiling range from 308 to 309 °C at standard atmospheric pressure. The specific gravity is approximately 1.01 at 25 °C. Its vapor pressure is very low, about 0.001 mmHg at 25 °C, contributing to its moderate volatility and prolonged scent longevity. The flash point is recorded at 212 °F (approximately 100 °C), indicating relative thermal stability under normal use conditions. This compound is soluble in alcohol and slightly soluble in water (estimated 4.664 mg/L at 25 °C), enabling integration into both aqueous and alcoholic bases. Proper storage involves cool, dry conditions in sealed containers protected from heat and light to maintain shelf life, which typically extends to 24 months or more. The estimated logP value of 4.727 suggests lipophilicity, influencing its affinity for hydrophobic media and impact on diffusion in fragrance matrices.

(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
FDA Substances Added to Food (formerly EAFUS):	View
HMDB (The Human Metabolome Database):	HMDB35076
FooDB:	FDB013700
Export Tariff Code:	2909.30.6000
ChemSpider:	View

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children. S 24/25 - Avoid contact with skin and eyes. 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.
Oral/Parenteral Toxicity:
oral-rat LD50 [sex: M,F] 5930 mg/kg (Jenner et al., 1964) oral-rat LD50 > 5000 mg/kg (Moreno, 1978m) oral-rat LD50 [sex: M,F] 5930 mg/kg (Bär & Griepentrog, 1967) oral-rat LD50 > 5000 mg/kg Food and Cosmetics Toxicology. Vol. 2, Pg. 327, 1964.
Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg Food and Chemical Toxicology. Vol. 30, Pg. 95S, 1992.
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
Recommendation for nerolin fragarol usage levels up to:
	10.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU):		1.20 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA):		2.00 (μg/capita/day)
Structure Class:		III
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: 13
Click here to view publication 13
		average usual ppm	average maximum ppm
baked goods:		-	5.00000
beverages(nonalcoholic):		-	5.00000
beverages(alcoholic):		-	1.00000
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		-	-
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		-	5.00000
fruit ices:		-	-
gelatins / puddings:		-	5.00000
granulated sugar:		-	-
gravies:		-	-
hard candy:		-	-
imitation dairy:		-	-
instant coffee / tea:		-	-
jams / jellies:		-	-
meat products:		-	-
milk products:		-	-
nut products:		-	-
other grains:		-	-
poultry:		-	-
processed fruits:		-	-
processed vegetables:		-	-
reconstituted vegetables:		-	-
seasonings / flavors:		-	-
snack foods:		-	-
soft candy:		-	5.00000
soups:		-	-
sugar substitutes:		-	-
sweet sauces:		-	-

Safety references

European Food Safety Athority(EFSA):Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...

European Food Safety Authority (EFSA) reference(s):

Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 23 (FGE.23): Aliphatic, alicyclic and aromatic ethers including anisole derivatives From chemical groups 15, 16 and 26 (Commission Regulation (EC) No 1565/2000 of 18 July 2000 View page or View pdf

Flavouring Group Evaluation 59 (FGE.59): Consideration of aliphatic and aromatic ethers evaluated by JECFA (61st meeting) structurally related to aliphatic, alicyclic and aromatic ethers including anisole derivatives evaluated by EFSA in FGE.23 (2006) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) View page or View pdf

Flavouring Group Evaluation 23, Revision 1 (FGE.23Rev1): Aliphatic, alicyclic and aromatic ethers including anisole derivatives from chemical groups 15, 16, 26 and 30[1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 59, Revision 1 (FGE.59Rev1): Consideration of aliphatic and aromatic ethers evaluated by JECFA (61st meeting and 63rd meeting) structurally related to aliphatic, alicyclic and aromatic ethers including anisole derivatives evaluated by EFSA in FGE.23 Rev2 (2010) View page or View pdf

EPI System: View

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Toxicology Citations:Search

EPA Substance Registry Services (TSCA):2173-57-1

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :16582

National Institute of Allergy and Infectious Diseases:Data

WGK Germany:2

2-(2-methylpropoxy)naphthalene

Chemidplus:0002173571

RTECS:KO1255000 for cas# 2173-57-1