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bornyl butyrate
DL-bornyl butyrate

Sponsors

Name:(1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) butanoate
CAS Number: 13109-70-1Picture of molecule3D/inchi
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:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm: BORNYL BUTYRATE
 
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
 
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).
 
Cosmetic Information:
None found
 
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
 
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
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
 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: --
 
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
 
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
 
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
 
Potential Blenders and core components note
For Odor
amber
angelica archangelica root oil CO2 extract
FL/FR
animal
1-oxa
spiro-4,7-dodecane
FR
balsamic
dextro,laevo-iso
borneol
FL/FR
iso
bornyl acetate
FL/FR
iso
bornyl propionate
FL/FR
cedar forest fragrance
FR
conifer acetate
FR
fir carboxylate
FR
scotch
pine wood/needles resinoid
FR
berry
raspberry ketone methyl ether
FL/FR
camphoreous
dextro-
camphor
FL/FR
citrus
neroli ketone
FR
earthy
2-
octanone
FL/FR
fatty
hexyl pivalate
FR
floral
iso
amyl salicylate
FL/FR
anise indene
FR
benzaldehyde propylene glycol acetal
FL/FR
bigarade oxide
FR
boronia absolute
FL/FR
bursera graveolens wood oil
FL/FR
2,4-
dimethyl cyclohexyl methyl acetate
FR
ionone mixed isomers
FL/FR
(Z)-
jasmone
FL/FR
karo karounde absolute
FR
lavandula angustifolia flower oil
FL/FR
lavender oil france
FL/FR
lavender oil greece
FL/FR
linalyl propionate
FL/FR
N-
methyl ionone
FR
nonisyl propionate
FR
petitgrain bigarade oil
FL/FR
prenyl salicylate
FL/FR
sambucus nigra flower oil CO2 extract
FR
5-
tricyclodecenyl acetate
FR
fruity
3-
benzyl-4-heptanone
FL/FR
buchu wood specialty
FL/FR
1-(3,3-
dimethyl bicyclo(2.2.1)hept-2-yl)-2-methyl cyclohex-3-ene carbaldehyde
FR
1,4-
dimethyl bicyclo(3.2.1)oct-3-yl acetate
FR
1,2-
dimethyl butyl 2-butenoate
FR
trans-1-
ethyl-2-methyl propyl 2-butenoate
FL/FR
geranyl acetoacetate
FL/FR
green acetate
FR
heptyl isovalerate
FL/FR
methyl (Z)-5-octenoate
FL/FR
octyl propionate
FL/FR
2-
pentanone
FL/FR
perillyl acetate
FL/FR
pineapple hydroxyhexanoate
FL/FR
green
iso
cyclocitral (IFF)
FL/FR
dicyclopentadiene propionate
FR
alpha-
hexyl cinnamaldehyde dimethyl acetal
FR
para-
methyl hydratropaldehyde
FL/FR
hay
tobacco leaf absolute
FL/FR
herbal
1-
allyl-2,2,7,7-tetramethyl cycloheptanol
FR
angelica archangelica seed extract
FL/FR
artemisia vestita wall. leaf oil
FR
bornyl 2-methyl butyrate
FL/FR
beta-
bourbonene
FL/FR
alpha-
cadinol
FL/FR
calamintha clinopodium oil
FR
cardamom liquid resin
FR
coriander oleoresin
FL/FR
dill seed oil
FL/FR
dill seed oil CO2 extract
FL/FR
dimethyl cyclormol (IFF)
FR
herbal specialty
FR
herbal undecanone
FR
immortelle flower oil
FL/FR
lavandin water absolute
FL/FR
2-
methyl butyl salicylate
FL/FR
methyl cyclogeranate (Firmenich)
FR
curled
parsley leaf oil
FL/FR
alpha-
pinene
FL/FR
pinocarveol
FL/FR
tea leaf absolute
FL/FR
thyme oil wild or creeping
FL/FR
tricyclodecenyl propionate
FR
minty
pennyroyal oil
FL/FR
musk
angelica root absolute
FL/FR
orris
para-iso
propyl acetophenone
FL/FR
spicy
bayberry fragrance
FR
cinnamon acrolein
FL/FR
black
currant bud absolute
FL/FR
N,N-
diethyl octanamide
FR
ginger oleoresin africa
FL/FR
ginger root absolute
FL/FR
ginger root oil cochin
FL/FR
green oxane
FR
myrcene
FR
2-
octanol
FL/FR
black
pepper absolute
FL/FR
white
pepper oil
FL/FR
black
pepper oil
FL/FR
black
pepper oleoresin
FL/FR
4-iso
propyl-2-cyclohexenone
FL/FR
thujonic
cedarleaf oil western red
FR
common
tansy flower oil argentina
FL/FR
woody ketone
FL/FR
waxy
orris rhizome oil CO2 extract
FL/FR
woody
angelica archangelica root extract
FL/FR
angelica archangelica root tincture
FL/FR
angelica archangelica root water
FL/FR
cadinene
FL/FR
(+)-
camphene
FL/FR
camphene
FL/FR
cistus twig/leaf oil
FL/FR
cypress essence
FR
dalbergia sissoo leaf oil
FR
dihydro-alpha-terpinyl acetate
FR
fougere woody fragrance
FR
laitone
FR
manevoro oil
FR
marine formate
FR
melaleuca bracteata leaf oil
FR
melozol acetate
FR
polylimonene
FL/FR
santol pentenol
FR
spicy pentanone
FL/FR
spruce needle oil canada
FL/FR
tetrahydromugol
FR
1-(5',5',6'-
trimethyl bicyclo(2.2.1)hept-2'-ylidene) propan-2-one
FR
For Flavor
No flavor group found for these
angelica archangelica root extract
FL/FR
angelica archangelica root oil CO2 extract
FL/FR
angelica archangelica root tincture
FL/FR
angelica archangelica root water
FL/FR
bornyl 2-methyl butyrate
FL/FR
beta-
bourbonene
FL/FR
buchu wood specialty
FL/FR
bursera graveolens wood oil
FL/FR
alpha-
cadinol
FL/FR
(+)-
camphene
FL/FR
cistus twig/leaf oil
FL/FR
trans-1-
ethyl-2-methyl propyl 2-butenoate
FL/FR
heptyl isovalerate
FL/FR
ionone mixed isomers
FL/FR
2-
methyl butyl salicylate
FL/FR
1-
methyl pyrrole
FL
polylimonene
FL/FR
4-iso
propyl-2-cyclohexenone
FL/FR
woody ketone
FL/FR
balsamic
balsamic
iso
bornyl propionate
FL/FR
berry
perillyl acetate
FL/FR
raspberry ketone methyl ether
FL/FR
camphoreous
dextro,laevo-iso
borneol
FL/FR
camphene
FL/FR
pinocarveol
FL/FR
citrus
petitgrain bigarade oil
FL/FR
dairy
methyl (Z)-5-octenoate
FL/FR
2-
octanone
FL/FR
estery
octyl propionate
FL/FR
fruity
benzaldehyde propylene glycol acetal
FL/FR
3-
benzyl-4-heptanone
FL/FR
boronia absolute
FL/FR
2-
pentanone
FL/FR
pineapple hydroxyhexanoate
FL/FR
spicy pentanone
FL/FR
grassy
tobacco leaf absolute
FL/FR
green
iso
amyl salicylate
FL/FR
coriander oleoresin
FL/FR
iso
cyclocitral (IFF)
FL/FR
para-
methyl hydratropaldehyde
FL/FR
herbal
angelica archangelica seed extract
FL/FR
dill seed oil
FL/FR
dill seed oil CO2 extract
FL/FR
immortelle flower oil
FL/FR
lavandin water absolute
FL/FR
lavandula angustifolia flower oil
FL/FR
lavender oil france
FL/FR
lavender oil greece
FL/FR
linalyl propionate
FL/FR
curled
parsley leaf oil
FL/FR
prenyl salicylate
FL/FR
thyme oil wild or creeping
FL/FR
medicinal
dextro-
camphor
FL/FR
minty
pennyroyal oil
FL/FR
musk
angelica root absolute
FL/FR
musty
geranyl acetoacetate
FL/FR
spicy
cinnamon acrolein
FL/FR
black
currant bud absolute
FL/FR
ginger oleoresin africa
FL/FR
ginger root absolute
FL/FR
ginger root oil cochin
FL/FR
2-
octanol
FL/FR
black
pepper absolute
FL/FR
white
pepper oil
FL/FR
black
pepper oil
FL/FR
black
pepper oleoresin
FL/FR
para-iso
propyl acetophenone
FL/FR
tea
tea leaf absolute
FL/FR
thujonic
common
tansy flower oil argentina
FL/FR
woody
iso
bornyl acetate
FL/FR
cadinene
FL/FR
(Z)-
jasmone
FL/FR
orris rhizome oil CO2 extract
FL/FR
alpha-
pinene
FL/FR
spruce needle oil canada
FL/FR
 
Potential Uses:
FRbalsam
 fir
FRherbal
FRpine
FRwoody
 
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
 
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
 
 
Notes:
Flavouring agent
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