bornyl butyrate
DL-bornyl butyrate
 
Notes:
Flavouring agent
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(1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) butanoate (Click)
CAS Number: 13109-70-1Picture of molecule
ECHA EINECS - REACH Pre-Reg: 236-036-0
FDA UNII: Y7PT44NK8A
Nikkaji Web: J3.087.869H
MDL: MFCD00135667
CoE Number: 9319
XlogP3: 4.10 (est)
Molecular Weight: 224.34368000
Formula: C14 H24 O2
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: Racemate () = DL-Bornyl butyrate. CASrn in Register refers to (1R,2S,4R)-rel. Register name to be changed to DL-Bornyl butyrate (EFFA, 2011m).
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
Pubchem Patents: Search
PubMed: Search
NCBI: Search
JECFA Food Flavoring: 1412  bornyl butyrate
Flavis Number: 09.319 (Old)
DG SANTE Food Flavourings: 09.319  DL-bornyl butyrate
FEMA Number: 3907  bornyl butyrate
FDA Mainterm: BORNYL BUTYRATE
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.98100 to 0.99100 @  25.00 °C.
Pounds per Gallon - (est).: 8.163 to  8.246
Refractive Index: 1.46200 to 1.46900 @  20.00 °C.
Boiling Point: 120.00 to  121.00 °C. @ 10.00 mm Hg
Boiling Point: 247.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure: 0.018000 mm/Hg @ 25.00 °C. (est)
Flash Point: 231.00 °F. TCC ( 110.56 °C. )
logP (o/w): 4.535 (est)
Soluble in:
 alcohol
 water, slightly
 water, 2.405 mg/L @ 25 °C (est)
Insoluble in:
 water
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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:
Axsyn
For experimental / research use only.
Butanoic acid,(1R,2S,4R)-1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, rel-
BOC Sciences
For experimental / research use only.
Bornyl Butyrate
Parchem
bornyl butyrate
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the Chemical Sources Association
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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 butyrate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 6.10 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 9.00 (μg/capita/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: 19
Click here to view publication 19
 average usual ppmaverage maximum ppm
baked goods: 2.000005.00000
beverages(nonalcoholic): 0.500001.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: 0.100000.10000
condiments / relishes: 0.100000.20000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 2.000004.00000
fruit ices: --
gelatins / puddings: 2.500005.00000
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: 2.000004.00000
soups: --
sugar substitutes: --
sweet sauces: --
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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 96 (FGE.96): Consideration of 88 flavouring substances considered by EFSA for which EU production volumes / anticipated production volumes have been submitted on request by DG SANCO. Addendum to FGE. 51, 52, 53, 54, 56, 58, 61, 62, 63, 64, 68, 69, 70, 71, 73, 76, 77, 79, 80, 83, 84, 85 and 87.
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 87, Revision 2 (FGE.87Rev2): 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.47Rev1 (2008)
View page or View pdf
EPI System: View
EPA Substance Registry Services (TSCA): 13109-70-1
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 97897
National Institute of Allergy and Infectious Diseases: Data
 (1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) butanoate
Chemidplus: 0013109701
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References:
 (1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) butanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 13109-70-1
Pubchem (cid): 97897
Pubchem (sid): 135055389
Flavornet: 13109-70-1
Pherobase: View
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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): HMDB38246
FooDB: FDB017538
Export Tariff Code: 2915.60.0000
Typical G.C.
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
Synonyms   Articles   Notes   Search   Top
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
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
 raspberry ketone methyl etherFL/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 2-methyl 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
black pepper oilFL/FR
white 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
 cadineneFL/FR
(R)-gamma-cadinene 
(+)-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
 benzaldehyde propylene glycol acetalFL/FR
dextro,laevo-isoborneolFL/FR
 bornyl 2-methyl butyrateFL/FR
beta-bourboneneFL/FR
 buchu wood specialtyFL/FR
 bursera graveolens wood 
 bursera graveolens wood oilFL/FR
delta-cadinene 
(R)-gamma-cadinene 
 cadineneFL/FR
alpha-cadinolFL/FR
(+)-campheneFL/FR
 cistus twig/leaf oilFL/FR
isocyclocitral (IFF)FL/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 
2-octanolFL/FR
 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 
 tea leaf absoluteFL/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 
 woody ketoneFL/FR
balsamic
isobornyl propionateFL/FR
berry
 perillyl acetateFL/FR
 raspberry ketone methyl etherFL/FR
bitter
 tobacco leaf absoluteFL/FR
camphoreous
 campheneFL/FR
 pinocarveolFL/FR
citrus
 petitgrain bigarade oilFL/FR
dairy
 methyl (Z)-5-octenoateFL/FR
2-octanoneFL/FR
estery
 octyl propionateFL/FR
fruity
3-benzyl-4-heptanoneFL/FR
 boronia absoluteFL/FR
2-pentanoneFL/FR
 pineapple hydroxyhexanoateFL/FR
 spicy pentanoneFL/FR
green
isoamyl salicylateFL/FR
 coriander oleoresinFL/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
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
thujonic
common tansy flower oil argentinaFL/FR
woody
isobornyl acetateFL/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:
 balsamFR
 fir 
 herbalFR
 pineFR
 woodyFR
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Occurrence (nature, food, other): note
 chamomile oil morocco @ 1.30%
Data  GC  Search Trop  Picture
 lemon verbena oil morocco @ 0.4%
Data  GC  Search Trop  Picture
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Synonyms:
 bornyl butanoate
DL-bornyl butyrate
endo-bornyl butyrate
 butanoic acid rel-(1R,2S,4R)-1,7,7-trimethyl bicyclo(2.2.1)hept-2-yl ester
 butanoic acid, 1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, endo-
 butanoic acid, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-
 butyric acid 2-bornyl ester
 butyric acid, 2-bornyl ester
rel-(1R,2S,4R)-1,7,7-trimethyl bicyclo(2.2.1)butanoic acid hept-2-yl ester
endo-1,7,7-trimethyl bicyclo(2.2.1)hept-2-yl butanoic acid ester
(1,7,7-trimethyl norbornan-2-yl) butanoate
(1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) butanoate
1,7,7-trimethyl-bicyclo(2.2.1)heptan-2-yl butanoate
(1,7,7-trimethylnorbornan-2-yl) butanoate
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