isobornyl isobutyrate

Isobornyl isobutyrate is a bicyclic monoterpenoid ester characterized chemically as [(1R,4R,6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] 2-methylpropanoate, with the molecular formula C14H24O2. This compound is a colorless to pale liquid with a balsamic, herbal, woody aroma profile featuring fir needle and spicy notes. It is recognized for its medium odor strength and remarkable substantivity, lasting approximately 19 hours when neat. Synonyms include silvanat and exo-1,7,7-trimethylbicyclo(2.2.1)hept-2-yl isobutyrate. Sourced naturally from essential oils such as calamus, German chamomile, myrrh, and Strobilanthes auriculatus, isobornyl isobutyrate is documented in controlled-vocabulary chemical databases like PubChem for its structural and physicochemical properties. Its natural derivation and distinctive scent make it valuable in flavor and fragrance formulations.

Isobornyl isobutyrate occurs naturally in plant essential oils including calamus, German chamomile, myrrh, and Strobilanthes auriculatus. Its sensory properties—balsamic, herbal, pine, and woody notes—make it a preferred ingredient in flavor and fragrance industries. Under the FEMA (US) standard, it is identified by FEMA number 4146 and approved for use in flavor formulations. Its robust balsamic odor profile with medium strength and long-lasting substantivity allows it to contribute complexity to perfume and flavor compositions. Typical applications include use as a fir note component and as an enhancer of woody and herbal accords in product design.

Isobornyl isobutyrate presents as a liquid with specific gravity ranging from 0.955 to 0.968 at 25 °C, indicating moderate density compared to water. Its refractive index lies between 1.456 and 1.466 at 20 °C, reflecting its optical properties useful in quality control. Boiling points vary from 244 to 245 °C at atmospheric pressure (760 mm Hg) and 131 to 133 °C under reduced pressure (19 mm Hg), revealing volatility behavior important for application formulation. The compound exhibits low vapor pressure of 0.031 mmHg at 25 °C, suggesting a slow evaporation rate and good substantivity in fragrances. Its estimated logarithm of the partition coefficient (log P) is approximately 4.379, indicating significant lipophilicity. Solubility is good in alcohol solvents; however, it is practically insoluble in water, posing considerations for formulation in aqueous systems. The flash point is 105 °C (222 °F), supporting safe handling under standard conditions.

(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):	HMDB32342
FooDB:	FDB009637
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

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
Recommendation for isobornyl isobutyrate usage levels up to:
	10.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU):		0.085 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI):		2300 (μg/person/day)
Threshold of Concern:		1800 (μg/person/day)
Structure Class:		I
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: 22
Click here to view publication 22
		average usual ppm	average maximum ppm
baked goods:		10.00000	50.00000
beverages(nonalcoholic):		-	-
beverages(alcoholic):		-	-
breakfast cereal:		5.00000	25.00000
cheese:		7.00000	35.00000
chewing gum:		-	-
condiments / relishes:		-	-
confectionery froastings:		10.00000	50.00000
egg products:		-	-
fats / oils:		5.00000	25.00000
fish products:		2.00000	10.00000
frozen dairy:		7.00000	35.00000
fruit ices:		10.00000	50.00000
gelatins / puddings:		-	-
granulated sugar:		-	-
gravies:		-	-
hard candy:		20.00000	100.00000
imitation dairy:		7.00000	35.00000
instant coffee / tea:		-	-
jams / jellies:		-	-
meat products:		5.00000	25.00000
milk products:		7.00000	35.00000
nut products:		-	-
other grains:		-	-
poultry:		2.00000	10.00000
processed fruits:		7.00000	35.00000
processed vegetables:		-	-
reconstituted vegetables:		-	-
seasonings / flavors:		5.00000	25.00000
snack foods:		-	-
soft candy:		20.00000	100.00000
soups:		5.00000	25.00000
sugar substitutes:		-	-
sweet sauces:		5.00000	25.00000
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFSA, 2002i).
Note: mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
		average usage mg/kg	maximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0):		7.00000	35.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0):		5.00000	25.00000
Edible ices, including sherbet and sorbet (03.0):		10.00000	50.00000
Processed fruit (04.1):		7.00000	35.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2):		-	-
Confectionery (05.0):		10.00000	50.00000
Chewing gum (05.3):		-	-
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0):		5.00000	25.00000
Bakery wares (07.0):		10.00000	50.00000
Meat and meat products, including poultry and game (08.0):		2.00000	10.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0):		2.00000	10.00000
Eggs and egg products (10.0):		-	-
Sweeteners, including honey (11.0):		-	-
Salts, spices, soups, sauces, salads, protein products, etc. (12.0):		5.00000	25.00000
Foodstuffs intended for particular nutritional uses (13.0):		10.00000	50.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1):		-	-
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2):		10.00000	50.00000
Ready-to-eat savouries (15.0):		20.00000	100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0):		5.00000	25.00000

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):

Flavouring Group Evaluation 47, (FGE.47)[1] - Bicyclic secondary alcohols, ketones and related esters from chemical group 8 - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf

Flavouring Group Evaluation 87, (FGE.87)[1] - Consideration of bicyclic secondary alcohols, ketones and related esters evaluated by JECFA (63rd meeting) structurally related to bicyclic secondary alcohols, ketones and related esters evaluated by EFSA in FGE.47 (2008) - Scientific Opinion of the Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food View page or View pdf

Scientific Opinion on Flavouring Group Evaluation 47, Revision 1 (FGE.47Rev1): Bi- and tricyclic secondary alcohols, ketones and related esters from chemical group 8 View page or View pdf

EPI System: View

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EPA Substance Registry Services (TSCA):85586-67-0

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :174490

National Institute of Allergy and Infectious Diseases:Data

[(1R,4R,6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] 2-methylpropanoate

Chemidplus:0085586670