isobornyl isovalerate
DL-isobornyl isovalerate
Accentuate warm herbal notes. Flavouring agent
  • Bedoukian Research
    • Bedoukian Research, Inc.
      Constantly Improving
      Working closely with our customers to meet their requirements.
      Paul Bedoukian founded the company to fill a niche as a supplier of high quality specialty aroma and flavor ingredients. In 1975 the company began manufacturing insect pheromones which are chemically similar to flavor and fragrance ingredients. Today, Bedoukian Research offers more than 450 Aroma Chemicals and 50 Insect Pheromones, while also providing custom manufacturing services to the pharmaceutical, agrochemical, and specialty chemical industries.
      US Email: Customer Service
      US Voice: 1-203-830-4000
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      977 ISOBORNYL ISOVALERATE ≥97.0%, Kosher
      For a fruity, minty lift in fragrances.
      Used mostly for oral hygiene products such as mouthwash and toothpaste flavors.
  • CTC Organics
    • CTC Organics
      For More Than 40 Year
      Your source for rare aroma chemicals for the flavor and fragrance industy.
      “The world is run by middle men.” The number of times I have heard Dr. Liu utter those words are innumerable. He loved reciting and recording famous quotes and had many of his own. Among his many talents, Dr. Liu had a unique genius in the area of chemistry. He had an uncanny understanding of the pulse of the chemical industry and was a superb salesman.
      US Email: Customer Service
      US Voice: (404) 524-6744
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      W01770 isobornyl isovalerate
  • Lluch Essence
    • Lluch Essence S.L.
      A family company dedicated to sales and distribution
      Flexibility, availability, price and quality.
      Flexibility, availability, price and quality make LLUCH ESSENCE S.L. one of Europe’s references when it comes to essential oils and aroma chemicals, and it is now well known all around the world.
      Email: Info
      Voice: 34 93 379 38 49
      Fax: 34 93 370 65 04
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
      US Email: Technical Services
      US Email: Sales
      US Voice: (973) 740-2300
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      09-35950 ISOBORNYL ISOVALERATE, Kosher
Synonyms   Articles   Notes   Search
[(1S,6R)-1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl] 3-methylbutanoate (Click)
CAS Number: 7779-73-9Picture of molecule
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:
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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 Regulation:
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
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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 mm/Hg @ 25.00 °C.
Flash Point: 230.00 °F. TCC ( 110.00 °C. )
logP (o/w): 4.889 (est)
Soluble in:
 water, 0.8885 mg/L @ 25 °C (est)
Insoluble in:
Similar Items: note
allyl valerate
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geranyl isovalerate
(E)-2-hepten-1-yl isovalerate
heptyl isovalerate
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(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
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methyl 4-methyl valerate
2-methyl butyl isovalerate
4-methyl pentyl isovalerate
methyl thio isovalerate
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methyl isovalerate
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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
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Organoleptic Properties:
Odor Type: woody
Odor Strength: medium
 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)
 woody  camphoreous  pine  green  
Taste Description:
Woody, camphoreous and borneol-like with green nuances
Mosciano, Gerard P&F 22, No. 3, 47, (1997)
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Apple Flavor & Fragrance
Isobornyl isovalerate
Bedoukian Research
≥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.
CTC Organics
isobornyl isovalerate
Lluch Essence
isoBornyl Isovalerate
Penta International
Shanghai Vigen Fine Chemical
isoBornyl Isovalerate
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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
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
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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
Click here to view publication 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: --
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Safety References:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of alicyclic substances used as flavor ingredients. View pdf
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
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 [(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
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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): HMDB38250
FooDB: FDB017543
Export Tariff Code: 2916.20.5000
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
 betula pubescens bud oilFL/FR
 bornyl acetateFL/FR
laevo-bornyl acetateFL/FR
isobornyl methyl etherFL/FR
 fir balsam absoluteFR
 gurjun balsamFR
 spruce needle absoluteFL/FR
 ocimene quintoxideFL/FR
 karo karounde absoluteFR
 green acetateFR
1-allyl-2,2,7,7-tetramethyl cycloheptanolFR
(-)-bornyl isovalerateFL/FR
 hop absoluteFL/FR
 methyl cyclogeranateFR
 nonisyl formateFR
 nopyl acetateFR
3-octyl acetateFL/FR
 peppermint cyclohexanoneFL/FR
 cedarleaf oil terpenelessFR
2-tert-butyl cyclohexanoneFR
para-tert-butyl cyclohexanoneFR
 cedarwood oil port orfordFR
 hinoki root oilFR
 myrtenyl formateFL/FR
 myrtenyl isobutyrate 
 nopyl aldehydeFR
 spikenard oilFL/FR
For Flavor
No flavor group found for these
 betula pubescens bud oilFL/FR
laevo-bornyl acetateFL/FR
(-)-bornyl isovalerateFL/FR
isobornyl methyl etherFL/FR
 myrtenyl formateFL/FR
 myrtenyl isobutyrate 
 spikenard oilFL/FR
 spruce needle absoluteFL/FR
 bornyl acetateFL/FR
 ocimene quintoxideFL/FR
3-octyl acetateFL/FR
 hop absoluteFL/FR
 peppermint cyclohexanoneFL/FR
white pepper oleoresinFL
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Potential Uses:
 fir needle pine needleFL/FR
 violet leafFL/FR
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Occurrence (nature, food, other): note
 lavender oil spike spain @ 0.17%
Data  GC  Search Trop  Picture
 valerian root oil
Search Trop  Picture
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isobornyl 3-mehtyl butanoate
 bornyl 3-methylbutanoate
isobornyl 3-methylbutanoate
isobornyl isopentanoate
DL-isobornyl isovalerate
exo-bornyl isovalerate
isobornyl isovalerianate
 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-
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
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