bornyl 2-methyl butyrate
(1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) 2-methylbutanoate
 
Notes:
None found
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(1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) 2-methylbutanoate (Click)
CAS Number: 94200-10-9Picture of molecule
ECHA EINECS - REACH Pre-Reg: 303-487-0
Nikkaji Web: J319.076E
XlogP3-AA: 4.50 (est)
Molecular Weight: 238.37062000
Formula: C15 H26 O2
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: Mixture of diastereoisomers. CASrn = 94200-10-9 (EFFA, 2010a). 25 % of each (EFFA, 2012g).
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
Google Scholar: Search
Google Books: Search
Google Scholar: with word "volatile"Search
Google Scholar: with word "flavor"Search
Google Scholar: with word "odor"Search
Perfumer and Flavorist: Search
Google Patents: Search
US Patents: Search
EU Patents: Search
IBM Patents: Obtain
Pubchem Patents: Search
JECFA Food Flavoring: 1869  isobornyl 2-methylbutyrate
Flavis Number: 09.888 (Old)
DG SANTE Food Flavourings: 09.888  isobornyl 2-methylbutyrate
FEMA Number: 4147  isobornyl 2-methylbutyrate
FDA Mainterm: ISOBORNYL 2-METHYLBUTYRATE
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Physical Properties:
Appearance: colorless solid (est)
Assay: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Melting Point: 84.00 °C. @ 760.00 mm Hg
Boiling Point: 336.00 °C. @ 760.00 mm Hg
Boiling Point: 260.00 to  261.00 °C. @ 760.00 mm Hg (est)
Vapor Pressure: 0.012000 mm/Hg @ 25.00 °C. (est)
Flash Point: 243.00 °F. TCC ( 117.30 °C. ) (est)
logP (o/w): 5.013 (est)
Soluble in:
 alcohol
 water, 0.8885 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
isoamyl 2-methyl butyrate
amyl 2-methyl butyrate
benzyl 2-methyl butyrate
butyl 2-methyl butyrate
isobutyl 2-methyl butyrate
citronellyl 2-methyl butyrate
ethyl 2-hydroxy-2-methyl butyrate
(±)-ethyl 3-acetoxy-2-methyl butyrate
(±)-ethyl 3-hydroxy-2-methyl butyrate
ethyl 2-methyl butyrate
furfuryl 2-methyl butyrate
geranyl 2-methyl butyrate
heptyl 2-methyl butyrate
(E)-2-hexen-1-yl 2-methyl butyrate
(Z)-3-hexen-1-yl 2-methyl butyrate
3-hexen-1-yl 2-methyl butyrate
hexyl 2-methyl butyrate
methyl 3-acetoxy-2-methyl butyrate
2-methyl butyl 2-methyl butyrate
methyl 2-methyl butyrate
octyl 2-methyl butyrate
propyl 2-methyl butyrate
isopropyl 2-methyl butyrate
propylene glycol di-2-methyl butyrate
propylene glycol mono-2-methyl butyrate
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Organoleptic Properties:
Odor Type: herbal
Odor Strength: medium
 herbal  woody  
Odor Description:
at 100.00 %. 
herbal woody
  
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
Bornyl 2-methylbutyrate
Parchem
bornyl 2-methyl butyrate
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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
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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for bornyl 2-methyl butyrate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.061 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): 1900 (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 ppmaverage maximum ppm
baked goods: 10.0000050.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: 5.0000025.00000
cheese: 7.0000035.00000
chewing gum: --
condiments / relishes: --
confectionery froastings: 10.0000050.00000
egg products: --
fats / oils: 5.0000025.00000
fish products: 2.0000010.00000
frozen dairy: 7.0000035.00000
fruit ices: 10.0000050.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 20.00000100.00000
imitation dairy: 7.0000035.00000
instant coffee / tea: --
jams / jellies: --
meat products: 5.0000025.00000
milk products: 7.0000035.00000
nut products: --
other grains: --
poultry: 2.0000010.00000
processed fruits: 7.0000035.00000
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: 5.0000025.00000
snack foods: --
soft candy: 20.00000100.00000
soups: 5.0000025.00000
sugar substitutes: --
sweet sauces: 5.0000025.00000
 
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/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0): 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0): 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0): 10.0000050.00000
Processed fruit (04.1): 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2): --
Confectionery (05.0): 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0): 5.0000025.00000
Bakery wares (07.0): 10.0000050.00000
Meat and meat products, including poultry and game (08.0): 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0): 2.0000010.00000
Eggs and egg products (10.0): --
Sweeteners, including honey (11.0): --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0): 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0): 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1): --
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2): 10.0000050.00000
Ready-to-eat savouries (15.0): --
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0): 5.0000025.00000
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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
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 22082179
National Institute of Allergy and Infectious Diseases: Data
 (1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) 2-methylbutanoate
Chemidplus: 0094200109
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References:
 (1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) 2-methylbutanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 22082179
Pubchem (sid): 135253028
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Other Information:
(IUPAC): Atomic Weights of the Elements 2009
(IUPAC): Atomic Weights of the Elements 2009 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
FDA Everything Added to Food in the United States (EAFUS): View
HMDB (The Human Metabolome Database): HMDB32343
FooDB: FDB009638
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
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Potential Blenders and core components note
 
For Odor
balsamic
dextro,laevo-isoborneolFL/FR
isobornyl acetateFL/FR
camphoreous
dextro-camphorFL/FR
earthy
2-octanoneFL/FR
floral
isoamyl salicylateFL/FR
 anise indeneFR
(Z)-jasmoneFL/FR
 karo karounde absoluteFR
 lavandula angustifolia flower oilFL/FR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
 nonisyl propionateFR
 petitgrain bigarade oilFL/FR
 prenyl salicylateFL/FR
fruity
3-benzyl-4-heptanoneFL/FR
green
isocyclocitral (IFF)FL/FR
para-methyl hydratropaldehydeFL/FR
herbal
 bornyl 2-methyl butyrateFL/FR
 bornyl butyrateFL/FR
beta-bourboneneFL/FR
delta-cadinene 
alpha-cadinolFL/FR
 coriander oleoresinFL/FR
 dimethyl cyclormol (IFF)FR
 herbal undecanoneFR
 immortelle flower oilFL/FR
curled parsley leaf oilFL/FR
 tea leaf absoluteFL/FR
 thyme oil wild or creepingFL/FR
 tricyclodecenyl propionateFR
minty
 pennyroyal oilFL/FR
spicy
 cinnamon acroleinFL/FR
black currant bud absoluteFL/FR
4-isopropyl-2-cyclohexenoneFL/FR
thujonic
common tansy flower oil argentinaFL/FR
common tansy leaf oil dutch 
 woody ketoneFL/FR
woody
(R)-gamma-cadinene 
(+)-campheneFL/FR
 campheneFL/FR
 cistus twig/leaf oilFL/FR
 marine formateFR
gamma-muurolene 
 origanum vulgare ssp. vulgare oil himalaya 
 polylimoneneFL/FR
 spruce needle oil canadaFL/FR
 
For Flavor
 
No flavor group found for these
dextro,laevo-isoborneolFL/FR
 bornyl 2-methyl butyrateFL/FR
 bornyl butyrateFL/FR
beta-bourboneneFL/FR
delta-cadinene 
(R)-gamma-cadinene 
alpha-cadinolFL/FR
(+)-campheneFL/FR
 cistus twig/leaf oilFL/FR
isocyclocitral (IFF)FL/FR
1-methyl pyrroleFL
gamma-muurolene 
 origanum vulgare ssp. vulgare oil himalaya 
 polylimoneneFL/FR
4-isopropyl-2-cyclohexenoneFL/FR
common tansy leaf oil dutch 
 tea leaf absoluteFL/FR
 woody ketoneFL/FR
camphoreous
 campheneFL/FR
citrus
 petitgrain bigarade oilFL/FR
dairy
2-octanoneFL/FR
fruity
3-benzyl-4-heptanoneFL/FR
green
isoamyl salicylateFL/FR
 coriander oleoresinFL/FR
para-methyl hydratropaldehydeFL/FR
herbal
 immortelle flower oilFL/FR
 lavandula angustifolia flower oilFL/FR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
curled parsley leaf oilFL/FR
 prenyl salicylateFL/FR
 thyme oil wild or creepingFL/FR
medicinal
dextro-camphorFL/FR
minty
 pennyroyal oilFL/FR
spicy
 cinnamon acroleinFL/FR
black currant bud absoluteFL/FR
thujonic
common tansy flower oil argentinaFL/FR
woody
isobornyl acetateFL/FR
(Z)-jasmoneFL/FR
 spruce needle oil canadaFL/FR
 
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Potential Uses:
 herbalFR
 woodyFR
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Occurrence (nature, food, other): note
 artemisia salsoloides
Search Trop  Picture
 eupatorium cannabinum
Search Trop  Picture
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Synonyms:
 bornyl 2-methylbutyrate
 butanoic acid, 2-methyl-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester
2-methyl butanoic acid 1,7,7-trimethyl bicyclo(2.2.1)hept-2-yl ester
(1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) 2-methylbutanoate
1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 2-methylbutanoate
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