EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

isobornyl isovalerate
DL-isobornyl isovalerate

Supplier Sponsors

Name:[(1S,6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] 3-methylbutanoate
CAS Number: 7779-73-9Picture of molecule3D/inchi
Other:116963-99-6
ECHA EINECS - REACH Pre-Reg:231-935-4
FDA UNII:X58D56297G
Nikkaji Web:J74.696G
CoE Number:452
XlogP3:4.60 (est)
Molecular Weight:238.37062000
Formula:C15 H26 O2
NMR Predictor:Predict (works with chrome or firefox)
EFSA/JECFA Comments:
Racemate () = DL-Isobornyl isovalerate. CASrn in Register refers to (1R,2R,4R)-rel. Register name to be changed to DL-Isobornyl isovalerate (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:1394 isobornyl isovalerate
FLAVIS Number:09.457 (Old)
DG SANTE Food Flavourings:09.457 isobornyl isovalerate
FEMA Number:2166 isobornyl isovalerate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):7779-73-9 ; ISOBORNYL ISOVALERATE
FDA Regulation:
FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
 
Physical Properties:
Appearance:colorless to pale yellow clear liquid (est)
Assay: 96.00 to 100.00
Food Chemicals Codex Listed: No
Specific Gravity:0.90000 to 0.90600 @ 25.00 °C.
Pounds per Gallon - (est).: 7.489 to 7.539
Refractive Index:1.46300 to 1.46900 @ 20.00 °C.
Boiling Point: 151.00 to 152.00 °C. @ 26.00 mm Hg
Boiling Point: 266.00 to 269.00 °C. @ 760.00 mm Hg
Acid Value: 1.00 max. KOH/g
Vapor Pressure:0.120000 mmHg @ 25.00 °C.
Flash Point: 230.00 °F. TCC ( 110.00 °C. )
logP (o/w): 4.889 (est)
Soluble in:
 alcohol
 water, 0.8885 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items:note
allyl valerate
allyl isovalerate
amyl valerate
amyl isovalerate
isoamyl valerate
isoamyl isovalerate
para-anisyl isovalerate
para-anisyl valerate
benzyl valerate
benzyl isovalerate
bornyl valerate
bornyl isovalerate
(-)-bornyl isovalerate
S-sec-butyl thioisovalerate
butyl valerate
butyl isovalerate
isobutyl valerate
isobutyl isovalerate
carvyl isovalerate
cinnamyl valerate
cinnamyl isovalerate
citronellyl valerate
citronellyl isovalerate
para-cresyl valerate
para-cresyl isovalerate
cyclohexyl valerate
cyclohexyl isovalerate
cyclotene isovalerate
decyl valerate
decyl isovalerate
ethyl valerate
ethyl isovalerate
eugenyl isovalerate
furfuryl isovalerate
furfuryl valerate
geranyl valerate
geranyl isovalerate
(E)-2-hepten-1-yl isovalerate
heptyl isovalerate
sec-heptyl isovalerate
heptyl valerate
(E)-2-hexen-1-yl valerate
(E)-2-hexen-1-yl isovalerate
(Z)-3-hexen-1-yl valerate
(Z)-3-hexen-1-yl isovalerate
hexyl valerate
hexyl isovalerate
linalyl valerate
linalyl isovalerate
menthyl valerate
menthyl isovalerate
methyl 2-methyl valerate
methyl 4-methyl valerate
2-methyl butyl isovalerate
4-methyl pentyl isovalerate
methyl thio isovalerate
methyl valerate
methyl isovalerate
myrtenyl isovalerate
neryl isovalerate
nonyl isovalerate
nonyl valerate
octyl valerate
octyl isovalerate
phenethyl isovalerate
2-phenethyl valerate
3-phenyl propyl isovalerate
phenyl propyl valerate
S-prenyl thioisovalerate
isopropyl thioisovalerate
propyl valerate
propyl isovalerate
isopropyl valerate
isopropyl isovalerate
rhodinyl isovalerate
terpinyl isovalerate
terpinyl valerate
 
Organoleptic Properties:
Odor Type: woody
Odor Strength:medium
Substantivity: > 168 hour(s) at 100.00 %
woody valerian root apple green apple camphoreous pine green
Odor Description:at 100.00 %. woody valerian root apple camphor pine green
woody cooling pine oily green
Odor Description:Woody, mild, cooling and borneol-like with oily and green nuances
Mosciano, Gerard P&F 22, No. 3, 47, (1997)
Flavor Type: woody
woody camphoreous pine green
Taste Description: Woody, camphoreous and borneol-like with green nuances
Mosciano, Gerard P&F 22, No. 3, 47, (1997)
Odor and/or flavor descriptions from others (if found).
Bedoukian Research
ISOBORNYL ISOVALERATE ≥97.0%, Kosher
Odor Description:A subtle mint, berry note.
For a fruity, minty lift in fragrances.
Taste Description:minty
Used mostly for oral hygiene products such as mouthwash and toothpaste flavors.
 
Cosmetic Information:
CosIng:cosmetic data
Cosmetic Uses: perfuming agents
 
Suppliers:
Apple Flavor & Fragrance
Isobornyl isovalerate
Bedoukian Research
ISOBORNYL ISOVALERATE
≥97.0%, Kosher
Odor: A subtle mint, berry note.
Use: For a fruity, minty lift in fragrances.
Flavor: minty
Used mostly for oral hygiene products such as mouthwash and toothpaste flavors.
BOC Sciences
For experimental / research use only.
isoBORNYL ISOVALERATE 97.0%
Lluch Essence
isoBORNYL ISOVALERATE
M&U International
isoBornyl Isovalerate
Parchem
isoBornyl Isovalerate
Penta International
ISOBORNYL ISOVALERATE, Kosher
Shanghai Vigen Fine Chemical
isoBornyl Isovalerate
Synerzine
isoBornyl Isovalerate
 
Safety Information:
European information :
Most important hazard(s):
None - None found.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
 
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.
Human Experience:
4% produced no irritation or sensitization.
Oral/Parenteral Toxicity:
Not determined
Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
 
Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for isobornyl isovalerate usage levels up to:
  10.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.08 (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: 3
 average usual ppmaverage maximum ppm
baked goods: 0.800002.00000
beverages(nonalcoholic): 0.6000011.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.300001.00000
fruit ices: 0.300001.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -0.90000
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: --
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 87 Revision 1 (FGE.87Rev1): 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)
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):7779-73-9
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :60968
National Institute of Allergy and Infectious Diseases:Data
WGK Germany:1
[(1S,6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] 3-methylbutanoate
Chemidplus:0007779739
 
References:
 [(1S,6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] 3-methylbutanoate
NIST Chemistry WebBook:Search Inchi
Canada Domestic Sub. List:7779-73-9
Pubchem (cid):60968
Pubchem (sid):135262959
 
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 Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB38250
FooDB:FDB017543
Export Tariff Code:2916.20.5000
Typical G.C.
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
balsamic
betula pubescens bud oil
FL/FR
dextro,laevo-
borneol
FL/FR
laevo-
borneol
FL/FR
iso
bornyl acetate
FL/FR
laevo-
bornyl acetate
FL/FR
bornyl acetate
FL/FR
iso
bornyl isobutyrate
FL/FR
iso
bornyl methyl ether
FL/FR
iso
bornyl propionate
FL/FR
fir balsam absolute
FR
gurjun balsam
FR
spruce needle absolute
FL/FR
citrus
ocimene quintoxide
FL/FR
floral
karo karounde absolute
FR
linalool
FL/FR
beta-
ocimene
FL/FR
fruity
green acetate
FR
herbal
1-
allyl-2,2,7,7-tetramethyl cycloheptanol
FR
(-)-
bornyl isovalerate
FL/FR
iso
dihydrolavandulal
FL/FR
geranic oxide
FL/FR
hop absolute
FL/FR
6-
hydroxydihydrotheaspirane (mixture of isomers)
FL/FR
methyl cyclogeranate (Firmenich)
FR
myrtenol
FL/FR
nonisyl formate
FR
nopyl acetate
FR
3-
octyl acetate
FL/FR
laevo-beta-
pinene
FL/FR
pinocarveol
FL/FR
sabinene hydrate
FL/FR
terpinolene
FL/FR
mentholic
peppermint cyclohexanone
FL/FR
minty
dextro-
dihydrocarvone
FL/FR
(-)-iso
pulegol
FL/FR
spicy
carvacrol
FL/FR
beta-
caryophyllene
FL/FR
caryophyllene
FL/FR
terpenic
pine needle oil dwarf
FL/FR
thujonic
cedarleaf oil terpeneless
FR
woody
para-tert-
butyl cyclohexanone
FR
2-tert-
butyl cyclohexanone
FR
cedarwood oil port orford
FR
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-ol
FL/FR
hinoki root oil
FR
myrtenyl formate
FL/FR
nopyl aldehyde
FR
cis-2-
pinanol
FR
spikenard oil
FL/FR
For Flavor
No flavor group found for these
betula pubescens bud oil
FL/FR
dextro,laevo-
borneol
FL/FR
(-)-
bornyl isovalerate
FL/FR
iso
bornyl methyl ether
FL/FR
(E+Z)-4,8-
dimethyl-3,7-nonadien-2-ol
FL/FR
myrtenyl formate
FL/FR
laevo-beta-
pinene
FL/FR
spikenard oil
FL/FR
balsamic
balsamic
laevo-
bornyl acetate
FL/FR
iso
bornyl isobutyrate
FL/FR
iso
bornyl propionate
FL/FR
spruce needle absolute
FL/FR
camphoreous
laevo-
borneol
FL/FR
bornyl acetate
FL/FR
geranic oxide
FL/FR
6-
hydroxydihydrotheaspirane (mixture of isomers)
FL/FR
pinocarveol
FL/FR
citrus
linalool
FL/FR
cooling
sabinene hydrate
FL/FR
green
dextro-
dihydrocarvone
FL/FR
beta-
ocimene
FL/FR
ocimene quintoxide
FL/FR
3-
octyl acetate
FL/FR
herbal
iso
dihydrolavandulal
FL/FR
hop absolute
FL/FR
mentholic
peppermint cyclohexanone
FL/FR
minty
(1R)-(-)-
myrtenal
FL
myrtenol
FL/FR
(-)-iso
pulegol
FL/FR
pine
pine needle oil dwarf
FL/FR
spicy
carvacrol
FL/FR
beta-
caryophyllene
FL/FR
caryophyllene
FL/FR
galanga flavor
FL
white
pepper oleoresin
FL
woody
iso
bornyl acetate
FL/FR
terpinolene
FL/FR
 
Potential Uses:
FRberry
 disinfectants
FRfir needle oil replacer
FRherbal
FRlavender
FRpineapple
FRraspberry
FL/FRvalerian
FRviolet leaf
 
Occurrence (nature, food, other):note
 lavender oil spike spain @ 0.17%
Data GC Search Trop Picture
 valerian root oil
Search Trop Picture
 
Synonyms:
isobornyl 3-mehtyl butanoate
 bornyl 3-methylbutanoate
isobornyl 3-methylbutanoate
isobornyl isopentanoate
DL-isobornyl isovalerate
exo-bornyl isovalerate
isobornyl isovalerianate
isobornyval
 butanoic acid, 3-methyl-, 1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester, endo-
 butanoic acid, 3-methyl-, 1,7,7-trimethylbicyclo[2.2.1]hept-2-yl ester, endo-
 hysterol
3-methyl butanoic acid (1R,2R,4R)-rel-1,7,7-trimethyl bicyclo(2.2.1)hept-2-yl ester
exo-3-methyl butanoic acid 7,7-trimethylbicyclo(2.2.1)hept-2-yl ester
exo-1,7,7-trimethyl bicyclo(2.2.1)hept-2-yl 3-methyl butanoate
(1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) 3-methylbutanoate
[(1S,6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] 3-methylbutanoate
1,7,7-trimethyl-bicyclo(2.2.1)hept-2-yl 3-methylbutanoate
1,7,7-trimethylbicyclo(2.2.1)hept-2-yl 3-methylbutanoate
1,7,7-trimethylbicyclo[2.2.1]hept-2-yl 3-methylbutanoate
isovaleric acid isobornyl ester
isovaleric acid, 2-bornyl ester
 
 
Notes:
Accentuate warm herbal notes. Flavouring agent
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