(-)-bornyl isovalerate
bornyl isovalerate (endo-)
 
Notes:
Accentuate warm herbal notes. Flavouring agent
  • 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
      US Fax: (404) 577-1651
      Resources
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      Product(s):
      W0213 bornyl isovalerate
       
  • Jiangyin Healthway
    • Jiangyin Healthway International Trade Co.
      Independent Ingredients Supplier
      We provide custom synthesis and contract manufacturing from milligrams to metric tonnes.
      Jiangyin Healthway International Trade Co., Ltd is a professional company, main engaged in manufacturing and exporting aroma chemicals ,food additives , cosmetic ingredient ,pharmaceutical intermediates & other fine chemicals; especially on aroma chemicals , as the major manufacturer of heterocyclic and sulphur aroma compounds , we are the leading independent ingredients supplier to the flavour and fragrance industries in China, can offer hundreds of different high quality aroma chemicals.
      Email: Info
      Email: Sales
      Voice: 86-510-86023169
      Fax: 86-510-86023170
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      Services
      Biochemical
      Natural Food Colour
      New functional food ingredients
      Product(s):
      HLO252 Bornyl Isovalerate
       
  • 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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      Product(s):
      02-37200 BORNYL ISOVALERATE, Kosher
       
Synonyms   Articles   Notes   Search
(1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) 3-methylbutanoate (Click)
CAS Number: 76-50-6Picture of molecule
ECHA EINECS - REACH Pre-Reg: 200-966-5
FDA UNII: 4P1Q0678RW
Nikkaji Web: J74.696G
MDL: MFCD00053464
CoE Number: 451
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-Bornyl isovalerate. CASrn in Register refers to (1R,2S,4R)-rel. Register name to be changed to DL-Bornyl 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
JECFA Food Flavoring: 1393  bornyl isovalerate (endo-)
Flavis Number: 09.456 (Old)
DG SANTE Food Flavourings: 09.456  DL-bornyl isovalerate
FEMA Number: 2165  bornyl isovalerate (endo-)
FDA Mainterm: BORNYL 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.
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.94400 to 0.94700 @  25.00 °C.
Pounds per Gallon - (est).: 7.855 to  7.880
Refractive Index: 1.45800 to 1.46100 @  20.00 °C.
Boiling Point: 260.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.012000 mm/Hg @ 25.00 °C. (est)
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
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allyl valerate
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decyl isovalerate
ethyl valerate
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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
Synonyms   Articles   Notes   Search   Top
Organoleptic Properties:
Odor Type: herbal
Odor Strength: medium
 valerian root  camphoreous  tropical  
Odor Description:
at 100.00 %. 
valerian camphor tropical
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
CTC Organics
bornyl isovalerate
Jiangyin Healthway
Bornyl Isovalerate
New functional food ingredients
Penta International
BORNYL ISOVALERATE, Kosher
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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:
oral-rat LD50  > 5000 mg/kg
(Denine, 1973b)

oral-rat LD50  > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 831, 1974.

Dermal Toxicity:
skin-rabbit LD50 > 5000 mg/kg
Food and Cosmetics Toxicology. Vol. 12, Pg. 831, 1974.

subcutaneous-mouse LDLo 2000 mg/kg
Annales Pharmaceutiques Francaises. Vol. 14, Pg. 710, 1956.

Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for (-)-bornyl isovalerate usage levels up to:
  20.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.50 (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: 0.900002.00000
beverages(nonalcoholic): 0.060001.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: 0.400001.00000
fruit ices: 0.400001.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: 0.900002.00000
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): 76-50-6
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: 2
 (1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) 3-methylbutanoate
Chemidplus: 0000076506
RTECS: EK7902550 for cas# 76-50-6
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References:
 (1,7,7-trimethyl-6-bicyclo[2.2.1]heptanyl) 3-methylbutanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 76-50-6
Pubchem (cid): 60968
Pubchem (sid): 135017569
Flavornet: 76-50-6
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
KEGG (GenomeNet): C16920
HMDB (The Human Metabolome Database): HMDB38248
FooDB: FDB017540
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
balsamic
 betula pubescens bud oilFL/FR
laevo-borneolFL/FR
dextro,laevo-borneolFL/FR
isobornyl methyl etherFL/FR
 fir balsam absoluteFR
 spruce needle absoluteFL/FR
 valerophenone 
citrus
 ocimene quintoxideFL/FR
earthy
 octyl phenyl acetateFL/FR
floral
 ethyl linaloolFR
 ethyl linalyl etherFL/FR
 karo karounde absoluteFR
 linaloolFL/FR
dextro-linaloolFL/FR
 linalool oxideFL/FR
beta-ocimeneFL/FR
fruity
 green acetateFR
herbal
1-allyl-2,2,7,7-tetramethyl cycloheptanolFR
isodihydrolavandulalFL/FR
 methyl cyclogeranateFR
 nonisyl formateFR
3-octyl acetateFL/FR
mentholic
 peppermint cyclohexanoneFL/FR
minty
(-)-isopulegolFL/FR
spicy
 carvacrolFL/FR
thujonic
 cedarleaf oil terpenelessFR
woody
2-tert-butyl cyclohexanoneFR
beta-eudesmol 
 hinoki root oilFR
alpha-thujene 
 
For Flavor
 
No flavor group found for these
 betula pubescens bud oilFL/FR
laevo-borneolFL/FR
dextro,laevo-borneolFL/FR
isobornyl methyl etherFL/FR
 ethyl linalyl etherFL/FR
beta-eudesmol 
dextro-linaloolFL/FR
 octyl phenyl acetateFL/FR
(-)-isopulegolFL/FR
alpha-thujene 
 valerophenone 
balsamic
 spruce needle absoluteFL/FR
citrus
 linaloolFL/FR
green
 linalool oxideFL/FR
beta-ocimeneFL/FR
 ocimene quintoxideFL/FR
3-octyl acetateFL/FR
herbal
isodihydrolavandulalFL/FR
mentholic
 peppermint cyclohexanoneFL/FR
spicy
 carvacrolFL/FR
 
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Potential Uses:
 berryFR
 disinfectants 
 fir needle pine needleFL/FR
 herbalFR
 lavenderFR
 pineappleFR
 raspberryFR
 valerianFL/FR
 violet leafFL/FR
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 angelica root oil
Search Trop  Picture
 valerian
Search Trop  Picture
 valeriana wallichii
Search Trop  Picture
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Synonyms:
endo-bornyl 3-methyl butanoate
2-bornyl 3-methyl butyrate
endo-bornyl 3-methylbutanoate
2-bornyl 3-methylbutyrate
 bornyl isopentanoate
 bornyl isovalerate
2-bornyl isovalerate
DL-bornyl isovalerate
dextro-bornyl isovalerate
endo-bornyl isovalerate
 bornyl isovalerate (endo-)
 bornyl isovalerianate
 bornyval
endo-3-methyl butanoic acid 1,7,7-trimethyl bicyclo(2.2.1)hept-2-yl ester
rel-(1R,2S,4R)-1,7,7-3-methyl butanoic acid trimethyl bicyclo(2.2.1)hept-2-yl ester
endo-3-methylbutanoic acid 1,7,7-trimethylbicyclo(2.2.1)hept-2-yl ester
rel-(1R,2S,4R)-1,7,7-3-methylbutanoic acid trimethylbicyclo(2.2.1)hept-2-yl ester
endo-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
endo-1,7,7-trimethylbicyclo(2.2.1)hept-2-yl 3-methylbutanoate
isovaleric acid 2-bornyl ester
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Articles:
 None found yet.
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