citronellyl isovalerate
3,7-dimethyl-6-octen-1-yl 3-methylbutanoate
 
Notes:
Blends well with orangeflower, rose, sandalwood and patchouli bases. Used in food flavouring
  • 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.
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      Product(s):
      W035 citronellyl isovalerate
       
  • Penta International
    • Penta International Corporation
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      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.
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      03-39300 CITRONELLYL ISOVALERATE
       
  • SRS Aromatics
    • SRS Aromatics Ltd
      For over 25 years
      Bringing flavour and fragrance into your world.
      As suppliers / distributors of ingredients to the fragrance and flavour industries, our goal is to provide high quality materials at competitive prices with an exceptional level of service. Established in 1984, SRS Aromatics Ltd is an independent family owned business which has become very well-respected within the fragrance and flavour industry as a reliable and trustworthy partner. Over the years this has allowed the company to develop strong relationships with many global manufacturers; several of whom we represent in the UK. A core aim of our business is to work extremely closely with both our suppliers and customers to maximise service levels with minimum disruption to supply.
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      CITRONELLYL ISO VALERATE
       
Synonyms   Articles   Notes   Search
3,7-dimethyloct-6-enyl 3-methylbutanoate (Click)
CAS Number: 68922-10-1Picture of molecule
ECHA EINECS - REACH Pre-Reg: 272-982-0
Nikkaji Web: J46.678F
CoE Number: 455
XlogP3-AA: 5.00 (est)
Molecular Weight: 240.38656000
Formula: C15 H28 O2
NMR Predictor: Predict (works with chrome or firefox)
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
Flavis Number: 09.460 (Old)
DG SANTE Food Flavourings: 09.460  citronellyl isovalerate
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 96.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 0.88000 to 0.89000 @  25.00 °C.
Pounds per Gallon - (est).: 7.322 to  7.406
Refractive Index: 1.44300 to 1.45300 @  20.00 °C.
Boiling Point: 237.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.001000 mm/Hg @ 25.00 °C. (est)
Flash Point: 196.00 °F. TCC ( 91.11 °C. )
logP (o/w): 5.578 (est)
Soluble in:
 alcohol
 water, 0.2171 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
isobornyl isovalerate
S-sec-butyl thioisovalerate
butyl valerate
butyl isovalerate
isobutyl valerate
isobutyl isovalerate
carvyl isovalerate
cinnamyl valerate
cinnamyl isovalerate
citronellyl valerate
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
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Organoleptic Properties:
Odor Type: floral
Odor Strength: medium
 honey  rose  herbal  chamomile  currant black currant  apple  
Odor Description:
at 100.00 %. 
honey rose herbal chamomile black currant apple
  
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
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Suppliers:
CG Herbals
Citronellyl Iso Valerinate
CTC Organics
citronellyl isovalerate
Grau Aromatics
CITRONELLYL-iso-VALERATE
NI, Kosher
Penta International
CITRONELLYL ISOVALERATE
SRS Aromatics
CITRONELLYL ISO VALERATE
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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
Recommendation for citronellyl isovalerate usage levels up to:
  3.0000 % in the fragrance concentrate.
 
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 68922-10-1
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 111440
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 3,7-dimethyloct-6-enyl 3-methylbutanoate
Chemidplus: 0068922101
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References:
 3,7-dimethyloct-6-enyl 3-methylbutanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 68922-10-1
Pubchem (cid): 111440
Pubchem (sid): 135068413
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
HMDB (The Human Metabolome Database): HMDB38954
FooDB: FDB018437
Export Tariff Code: 2915.60.0000
Typical G.C.
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
animal
para-cresyl phenyl acetateFL/FR
citrus
lemon scented tea tree oilFR
floral
isoamyl angelateFL/FR
 benzyl phenyl acetateFL/FR
 cassis buteneoneFR
 cassis oxime 10%FR
 citronellyl phenyl acetateFL/FR
 citronellyl valerateFL/FR
 citrus propanolFR
(Z)-alpha-damasconeFL/FR
delta-damasconeFL/FR
 dihydroisojasmonate methyl esterFR
 ethyl hydrocinnamateFL/FR
 ethyl phenyl acetateFL/FR
 ethyl safranateFR
 genet concreteFR
 geranium oil moroccoFL/FR
 geranyl phenyl acetateFL/FR
 geranyl propionateFL/FR
 linalyl phenyl acetateFL/FR
 neryl formateFL/FR
 neryl phenyl acetateFR
 nonyl heptanoate 
 octyl isovalerateFL/FR
 phenethyl acetateFL/FR
 phenethyl phenyl acetateFL/FR
 rosa alba flower oil CO2 extractFR
 rose carboxylateFR
fruity
 artemisia pallens herb oilFL/FR
 benzyl isovalerateFL/FR
(E)-beta-damascenoneFL/FR
(E)-alpha-damasconeFL/FR
beta-damasconeFL/FR
(Z)-beta-damasconeFL/FR
(E)-beta-damasconeFL/FR
 eriocephalus punctulatus flower oilFR
 geranyl 2-methyl butyrateFL/FR
 geranyl methyl tiglate 
 green acetateFR
 heptyl butyrateFL/FR
green
isoamyl 3-(2-furan) propionateFL/FR
isoamyl formateFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
3-hexenyl 2-methyl butyrateFL/FR
 phenoxyethyl isobutyrateFL/FR
herbal
 barosma betulina leaf oilFL/FR
 buchu mercaptan acetateFL/FR
 chamomile isobutyrateFR
 chamomile octenoneFR
 chamomile propionateFR
 chamomile valerateFR
2,10-epoxypinaneFR
 geranic oxideFL/FR
 geranium concreteFL/FR
 geranyl octanoateFL/FR
 herbal acetalFR
 juniper carboxaldehydeFR
 levisticum officinale root absoluteFL/FR
 melaleuca leucadendron cajaputi oilFL/FR
 methyl ortho-anisateFL/FR
3-octyl acetateFL/FR
 rosemary oil CO2 extractFL/FR
 tagete oil indiaFL/FR
honey
 butyl phenyl acetateFL/FR
 phenethyl furoateFL/FR
mentholic
laevo-menthyl acetateFL/FR
minty
 diosphenolFL/FR
powdery
 dibenzyl ketoneFL/FR
spicy
 cubeb oilFL/FR
black currant bud absoluteFL/FR
isoeugenyl phenyl acetateFL/FR
 gingergrass oilFR
 levisticum officinale root oilFL/FR
sulfurous
4-methoxy-2-methyl butane thiolFL/FR
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
waxy
 dihydrocitronellyl acetateFL/FR
 waxy acetateFR
woody
 cistus twig/leaf oilFL/FR
 
For Flavor
 
No flavor group found for these
isoamyl angelateFL/FR
 cistus twig/leaf oilFL/FR
 citronellyl valerateFL/FR
(E)-beta-damascenoneFL/FR
(Z)-alpha-damasconeFL/FR
(Z)-beta-damasconeFL/FR
 dihydrocitronellyl acetateFL/FR
 diosphenolFL/FR
 ethyl hydrocinnamateFL/FR
 geranyl 2-methyl butyrateFL/FR
 geranyl octanoateFL/FR
 linalyl phenyl acetateFL/FR
 melaleuca leucadendron cajaputi oilFL/FR
4-methyl 4-mercaptopentan-2-one 1% solutionFL/FR
 methyl ortho-anisateFL/FR
 nonyl heptanoate 
 octyl isovalerateFL/FR
 phenethyl furoateFL/FR
isoamyl 3-(2-furan) propionateFL/FR
beta-damasconeFL/FR
aromatic
para-cresyl phenyl acetateFL/FR
bitter
 dibenzyl ketoneFL/FR
camphoreous
 geranic oxideFL/FR
floral
 citronellyl phenyl acetateFL/FR
 geranium oil moroccoFL/FR
 geranyl phenyl acetateFL/FR
fruity
 artemisia pallens herb oilFL/FR
 benzyl isovalerateFL/FR
 buchu mercaptan acetateFL/FR
(E)-alpha-damasconeFL/FR
 geranyl methyl tiglate 
 neryl formateFL/FR
green
isoamyl formateFL/FR
(E)-beta-damasconeFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
3-hexenyl 2-methyl butyrateFL/FR
3-octyl acetateFL/FR
 phenoxyethyl isobutyrateFL/FR
herbal
 barosma betulina leaf oilFL/FR
 geranium concreteFL/FR
 rosemary oil CO2 extractFL/FR
 tagete oil indiaFL/FR
honey
 benzyl phenyl acetateFL/FR
 butyl phenyl acetateFL/FR
 ethyl phenyl acetateFL/FR
 phenethyl acetateFL/FR
 phenethyl phenyl acetateFL/FR
minty
laevo-menthyl acetateFL/FR
spicy
 cubeb oilFL/FR
black currant bud absoluteFL/FR
isoeugenyl phenyl acetateFL/FR
 levisticum officinale root absoluteFL/FR
 levisticum officinale root oilFL/FR
sulfurous
4-methoxy-2-methyl butane thiolFL/FR
tropical
 heptyl butyrateFL/FR
waxy
 geranyl propionateFL/FR
delta-damasconeFL/FR
 
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Potential Uses:
 appleFR
 chamomileFR
 currant blackFR
 dateFR
 grenadineFL
 honey mielFR
 melon watermelon muskmelon cantaloupe 
 orange blossomFR
 orchidFR
 patchouliFR
 quinceFR
 roseFR
 rose mossFR
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Occurrence (nature, food, other): note
 valerian root oil @ 0.2-2.1%
Data  GC  Search Trop  Picture
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Synonyms:
 butanoic acid, 3-methyl-, 3,7-dimethyl-6-octen-1-yl ester
 butanoic acid, 3-methyl-, 3,7-dimethyl-6-octenyl ester
 citronellyl iso valerinate
 citronellyl iso-valerate
 citronellyl isovalerate
 citronellyl-iso-valerate
 dihydrogeranyl isovalerate
(1)-3,7-dimethyl oct-6-enyl isovalerate
3,7-dimethyl oct-6-enyl isovalerate
3,7-dimethyl-6-octen-1-yl 3-methyl butanoate
3,7-dimethyl-6-octen-1-yl 3-methylbutanoate
3,7-dimethyloct-6-en-1-yl 3-methylbutanoate
3,7-dimethyloct-6-enyl 3-methylbutanoate
(1)-3,7-dimethyloct-6-enyl isovalerate
3,7-dimethyloct-6-enyl isovalerate
3-methyl butanoic acid 3,7-dimethyl-6-octenyl ester
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