isobornyl butyrate
exo-bornyl butyrate
 
Notes:
None found
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CAS Number: 58479-55-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 261-281-5
MDL: MFCD00135668
CoE Number: 564
XlogP3-AA: 3.90 (est)
Molecular Weight: 224.34368000
Formula: C14 H24 O2
NMR Predictor: Predict (works with chrome or firefox)
Category: flavor and fragrance agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 92.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 252.00 to  254.00 °C. @ 760.00 mm Hg
Flash Point: 231.00 °F. TCC ( 110.56 °C. )
logP (o/w): 4.670
Soluble in:
 alcohol
 water, slightly
 water, 2.405 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Ungerer & Company
isoBornyl Butyrate
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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
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for isobornyl butyrate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
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Safety References:
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 94077
National Institute of Allergy and Infectious Diseases: Data
 [(4R)-1,7,7-trimethyl-5-bicyclo[2.2.1]heptanyl] butanoate
Chemidplus: 0058479553
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References:
 [(4R)-1,7,7-trimethyl-5-bicyclo[2.2.1]heptanyl] butanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 94077
Pubchem (sid): 135049717
Pherobase: View
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Other Information:
(IUPAC): Atomic Weights of the Elements 2011 (pdf)
Videos: The Periodic Table of Videos
tgsc: Atomic Weights use for this web site
(IUPAC): Periodic Table of the Elements
HMDB (The Human Metabolome Database): Search
Export Tariff Code: 2915.60.0000
VCF-Online: VCF Volatile Compounds in Food
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Potential Blenders and core components note
 
For Odor
balsamic
dextro,laevo-isoborneolFL/FR
isobornyl acetateFL/FR
camphoreous
dextro-camphorFL/FR
earthy
2-octanoneFL/FR
floral
isoamyl salicylateFL/FR
 anise indeneFR
(Z)-jasmoneFL/FR
 karo karounde absoluteFR
 lavandula angustifolia flower oilFL/FR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
 nonisyl propionateFR
 petitgrain bigarade oilFL/FR
 prenyl salicylateFL/FR
fruity
3-benzyl-4-heptanoneFL/FR
green
isocyclocitral (IFF)FL/FR
para-methyl hydratropaldehydeFL/FR
herbal
beta-bourboneneFL/FR
delta-cadinene 
alpha-cadinolFL/FR
 coriander oleoresinFL/FR
 dimethyl cyclormol (IFF)FR
 herbal undecanoneFR
 immortelle flower oilFL/FR
curled parsley leaf oilFL/FR
 tea leaf absoluteFL/FR
 thyme oil wild or creepingFL/FR
 tricyclodecenyl propionateFR
minty
 pennyroyal oilFL/FR
spicy
 cinnamon acroleinFL/FR
black currant bud absoluteFL/FR
4-isopropyl-2-cyclohexenoneFL/FR
thujonic
common tansy flower oil argentinaFL/FR
common tansy leaf oil dutchFR
 woody ketoneFL/FR
woody
(R)-gamma-cadinene 
(+)-campheneFL/FR
 campheneFL/FR
 cistus twig/leaf oilFL/FR
 marine formateFR
gamma-muurolene 
 origanum vulgare ssp. vulgare oil himalaya 
 polylimoneneFL/FR
 spruce needle oil canadaFL/FR
 
For Flavor
 
No flavor group found for these
beta-bourboneneFL/FR
delta-cadinene 
(R)-gamma-cadinene 
alpha-cadinolFL/FR
(+)-campheneFL/FR
1-methyl pyrroleFL
gamma-muurolene 
 origanum vulgare ssp. vulgare oil himalaya 
 polylimoneneFL/FR
4-isopropyl-2-cyclohexenoneFL/FR
 woody ketoneFL/FR
camphoreous
dextro,laevo-isoborneolFL/FR
 campheneFL/FR
citrus
 petitgrain bigarade oilFL/FR
dairy
2-octanoneFL/FR
fruity
3-benzyl-4-heptanoneFL/FR
green
isoamyl salicylateFL/FR
isocyclocitral (IFF)FL/FR
para-methyl hydratropaldehydeFL/FR
herbal
 coriander oleoresinFL/FR
 immortelle flower oilFL/FR
 lavandula angustifolia flower oilFL/FR
 lavender oil franceFL/FR
 lavender oil greeceFL/FR
curled parsley leaf oilFL/FR
 prenyl salicylateFL/FR
 thyme oil wild or creepingFL/FR
medicinal
dextro-camphorFL/FR
minty
 pennyroyal oilFL/FR
spicy
 cinnamon acroleinFL/FR
black currant bud absoluteFL/FR
tea
 tea leaf absoluteFL/FR
thujonic
common tansy flower oil argentinaFL/FR
woody
isobornyl acetateFL/FR
 cistus twig/leaf oilFL/FR
(Z)-jasmoneFL/FR
 spruce needle oil canadaFL/FR
 
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Potential Uses:
 softener 
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Occurrence (nature, food, other): note
 salvia garedzhii
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Synonyms:
exo-bornyl butyrate
[(4R)-1,7,7-trimethyl-5-bicyclo[2.2.1]heptanyl] butanoate
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