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:
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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
 
Odor and/or flavor descriptions from others (if found).
 
 
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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
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Potential Blenders and core components note
 
For Odor
amber
 angelica archangelica root oil CO2 extractFL/FR
animal
1-oxaspiro-4,7-dodecaneFR
balsamic
dextro,laevo-isoborneolFL/FR
isobornyl acetateFL/FR
isobornyl propionateFL/FR
 cedar forest fragranceFR
 conifer acetateFR
 fir carboxylateFR
scotch pine wood/needles resinoidFR
berry
 raspberry ketone methyl etherFL/FR
camphoreous
dextro-camphorFL/FR
citrus
 neroli ketoneFR
earthy
2-octanoneFL/FR
fatty
 hexyl pivalateFR
floral
isoamyl salicylateFL/FR
 anise indeneFR
 benzaldehyde propylene glycol acetalFL/FR
 bigarade oxideFR
 boronia absoluteFL/FR
 bursera graveolens wood oilFL/FR
2,4-dimethyl cyclohexyl methyl acetateFR
 ionone mixed isomersFL/FR
(Z)-jasmoneFL/FR
 karo karounde absoluteFR
 lavandula angustifolia flower oilFL/FR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
 linalyl propionateFL/FR
N-methyl iononeFR
 nonisyl propionateFR
1-(octahydro-4,7-methanoinden-5-yl)-propan-2-one + 1-(6-methyloctahydro-4,7-methanoinden-5-yl)-ethanone 
 petitgrain bigarade oilFL/FR
 prenyl salicylateFL/FR
 sambucus nigra flower oil CO2 extractFR
5-tricyclodecenyl acetateFR
fruity
3-benzyl-4-heptanoneFL/FR
 buchu wood specialtyFL/FR
1-(3,3-dimethyl bicyclo(2.2.1)hept-2-yl)-2-methyl cyclohex-3-ene carbaldehydeFR
1,4-dimethyl bicyclo(3.2.1)oct-3-yl acetateFR
1,2-dimethyl butyl 2-butenoateFR
trans-1-ethyl-2-methyl propyl 2-butenoateFL/FR
1-ethyl-2-methyl propyl chrysanthemumate 
1-ethyl-2-methyl propyl tiglate 
 geranyl acetoacetateFL/FR
 green acetateFR
 heptyl isovalerateFL/FR
alpha-ionyl ethyl ether 
 methyl (Z)-5-octenoateFL/FR
 octyl propionateFL/FR
2-pentanoneFL/FR
 perillyl acetateFL/FR
 pineapple hydroxyhexanoateFL/FR
1,3,3,5-tetramethyl-7 and 8-acetyl bicyclo(2.2.2)oct-5-ene 
1,3,3,5-tetramethyl-7 and 8-cyanobicyclo(2.2.2)octane 
green
isocyclocitral (IFF)FL/FR
 dicyclopentadiene propionateFR
alpha-hexyl cinnamaldehyde dimethyl acetalFR
para-methyl hydratropaldehydeFL/FR
hay
 tobacco leaf absoluteFL/FR
herbal
1-allyl-2,2,7,7-tetramethyl cycloheptanolFR
 angelica archangelica seed extractFL/FR
 artemisia vestita wall. leaf oilFR
 bornyl butyrateFL/FR
beta-bourboneneFL/FR
 bursera graveolens wood 
delta-cadinene 
alpha-cadinolFL/FR
 calamintha clinopodium oilFR
 cardamom liquid resinFR
 coriander oleoresinFL/FR
 dill seed oilFL/FR
 dill seed oil CO2 extractFL/FR
 dimethyl cyclormol (IFF)FR
 herbal specialtyFR
 herbal undecanoneFR
 immortelle flower oilFL/FR
 lavandin water absoluteFL/FR
2-methyl butyl salicylateFL/FR
 methyl cyclogeranateFR
curled parsley leaf oilFL/FR
beta-sesquiphellandrene 
alpha-pineneFL/FR
 pinocarveolFL/FR
 tea leaf absoluteFL/FR
 thyme oil wild or creepingFL/FR
 tricyclodecenyl propionateFR
minty
 pennyroyal oilFL/FR
musk
 angelica root absoluteFL/FR
orris
para-isopropyl acetophenoneFL/FR
spicy
 bayberry fragranceFR
 cinnamon acroleinFL/FR
black currant bud absoluteFL/FR
N,N-diethyl octanamideFR
 ginger oleoresin africaFL/FR
 ginger root absoluteFL/FR
 ginger root oil cochinFL/FR
 green oxaneFR
 myrceneFL/FR
2-octanolFL/FR
black pepper absoluteFL/FR
white pepper oilFL/FR
black pepper oilFL/FR
black pepper oleoresinFL/FR
 pepper tree berry oil CO2 extract 
4-isopropyl-2-cyclohexenoneFL/FR
thujonic
 cedarleaf oil western redFR
common tansy flower oil argentinaFL/FR
common tansy leaf oil dutch 
 woody ketoneFL/FR
waxy
 orris rhizome oil CO2 extractFL/FR
woody
 angelica archangelica root extractFL/FR
 angelica archangelica root tinctureFL/FR
 angelica archangelica root waterFL/FR
(R)-gamma-cadinene 
 cadineneFL/FR
 campheneFL/FR
(+)-campheneFL/FR
 cistus twig/leaf oilFL/FR
 cypress essenceFR
 dalbergia sissoo leaf oilFR
 dihydro-alpha-terpinyl acetateFR
 fougere woody fragranceFR
(1R,4S)-1-hydroxy-1,4-dimethyl spiro(4.6)undecan-2-one 
 laitoneFR
 manevoro oilFR
 marine formateFR
 melaleuca bracteata leaf oilFR
 melozol acetateFR
gamma-muurolene 
 myrtenyl isobutyrate 
 origanum vulgare ssp. vulgare oil himalaya 
 polylimoneneFL/FR
2-N-propoxy-3(5)-methyl pyrazine 
 santol pentenolFR
 spicy pentanoneFL/FR
 spruce needle oil canadaFL/FR
 tetrahydromugolFR
1-(5',5',6'-trimethyl bicyclo(2.2.1)hept-2'-ylidene) propan-2-oneFR
 
For Flavor
 
No flavor group found for these
 angelica archangelica root extractFL/FR
 angelica archangelica root oil CO2 extractFL/FR
 angelica archangelica root tinctureFL/FR
 angelica archangelica root waterFL/FR
 bornyl butyrateFL/FR
beta-bourboneneFL/FR
 buchu wood specialtyFL/FR
 bursera graveolens wood 
 bursera graveolens wood oilFL/FR
delta-cadinene 
(R)-gamma-cadinene 
alpha-cadinolFL/FR
(+)-campheneFL/FR
 cistus twig/leaf oilFL/FR
trans-1-ethyl-2-methyl propyl 2-butenoateFL/FR
1-ethyl-2-methyl propyl chrysanthemumate 
1-ethyl-2-methyl propyl tiglate 
 heptyl isovalerateFL/FR
(1R,4S)-1-hydroxy-1,4-dimethyl spiro(4.6)undecan-2-one 
 ionone mixed isomersFL/FR
alpha-ionyl ethyl ether 
2-methyl butyl salicylateFL/FR
1-methyl pyrroleFL
gamma-muurolene 
 myrtenyl isobutyrate 
1-(octahydro-4,7-methanoinden-5-yl)-propan-2-one + 1-(6-methyloctahydro-4,7-methanoinden-5-yl)-ethanone 
 origanum vulgare ssp. vulgare oil himalaya 
beta-sesquiphellandrene 
 polylimoneneFL/FR
2-N-propoxy-3(5)-methyl pyrazine 
4-isopropyl-2-cyclohexenoneFL/FR
common tansy leaf oil dutch 
1,3,3,5-tetramethyl-7 and 8-acetyl bicyclo(2.2.2)oct-5-ene 
1,3,3,5-tetramethyl-7 and 8-cyanobicyclo(2.2.2)octane 
 woody ketoneFL/FR
balsamic
isobornyl propionateFL/FR
berry
 perillyl acetateFL/FR
 raspberry ketone methyl etherFL/FR
camphoreous
dextro,laevo-isoborneolFL/FR
 campheneFL/FR
 pinocarveolFL/FR
citrus
 petitgrain bigarade oilFL/FR
dairy
 methyl (Z)-5-octenoateFL/FR
2-octanoneFL/FR
estery
 octyl propionateFL/FR
fruity
 benzaldehyde propylene glycol acetalFL/FR
3-benzyl-4-heptanoneFL/FR
 boronia absoluteFL/FR
2-pentanoneFL/FR
 pineapple hydroxyhexanoateFL/FR
 spicy pentanoneFL/FR
grassy
 tobacco leaf absoluteFL/FR
green
isoamyl salicylateFL/FR
 coriander oleoresinFL/FR
isocyclocitral (IFF)FL/FR
para-methyl hydratropaldehydeFL/FR
herbal
 angelica archangelica seed extractFL/FR
 dill seed oilFL/FR
 dill seed oil CO2 extractFL/FR
 immortelle flower oilFL/FR
 lavandin water absoluteFL/FR
 lavandula angustifolia flower oilFL/FR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
 linalyl propionateFL/FR
curled parsley leaf oilFL/FR
 prenyl salicylateFL/FR
 thyme oil wild or creepingFL/FR
medicinal
dextro-camphorFL/FR
minty
 pennyroyal oilFL/FR
musk
 angelica root absoluteFL/FR
musty
 geranyl acetoacetateFL/FR
spicy
 cinnamon acroleinFL/FR
black currant bud absoluteFL/FR
 ginger oleoresin africaFL/FR
 ginger root absoluteFL/FR
 ginger root oil cochinFL/FR
2-octanolFL/FR
black pepper absoluteFL/FR
white pepper oilFL/FR
black pepper oilFL/FR
black pepper oleoresinFL/FR
 pepper tree berry oil CO2 extract 
para-isopropyl acetophenoneFL/FR
tea
 tea leaf absoluteFL/FR
thujonic
common tansy flower oil argentinaFL/FR
woody
isobornyl acetateFL/FR
 cadineneFL/FR
(Z)-jasmoneFL/FR
 myrceneFL/FR
 orris rhizome oil CO2 extractFL/FR
alpha-pineneFL/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
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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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