rhodinyl isovalerate
3,7-dimethyl-6 or 7-octen-1-yl isovalerate
 
Notes:
Flavouring ingredient
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      Product(s):
      7778-96-3 Rhodinyl Isovalerate
       
  • CSA
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    Flavor Demo Formulas
CAS Number: 7778-96-3Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 231-919-7
FDA UNII: RY3FD3JOGA
CoE Number: 460
XlogP3-AA: 5.30 (est)
Molecular Weight: 240.38656000
Formula: C15 H28 O2
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: CASrn in Register refers to 3S-enantiomer.
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: 77  rhodinyl isovalerate
DG SANTE Food Flavourings: 09.465  rhodinyl isovalerate
FEMA Number: 2987 rhodinyl isovalerate
FDA:No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):7778-96-3 ; RHODINYL 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 clear oily liquid (est)
Assay: 94.00 to 100.00 % 
Equivalence Factor for Assay: 120.20
Food Chemicals Codex Listed: No
Boiling Point: 270.00 °C. @ 760.00 mm Hg
Boiling Point: 147.00 °C. @ 14.00 mm Hg
Vapor Pressure: 0.000828 mmHg @ 25.00 °C. (est)
Flash Point: 194.00 °F. TCC ( 90.00 °C. )
logP (o/w): 5.696 (est)
Soluble in:
 alcohol
 water, very slightly
 water, 0.186 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
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
terpinyl isovalerate
terpinyl valerate
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Organoleptic Properties:
 
Odor Type: floral
 
Odor Strength: medium
 
 floral  rose red rose  
Odor Description:
at 100.00 %. 
sensual red rose
 
 
Flavor Type: fruity
 
 cherry  
Taste Description:
cherry
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
CosIng: cosmetic data
Cosmetic Uses: perfuming agents
Synonyms   Articles   Notes   Search   Top
Suppliers:
BOC Sciences
For experimental / research use only.
Rhodinyl Isovalerate
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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Safety Information:
European information :
Most important hazard(s):
Xi - Irritant
R 38 - Irritating to skin.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 36 - Wear suitable protective clothing.
 
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
Synonyms   Articles   Notes   Search   Top
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 rhodinyl isovalerate usage levels up to:
  5.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
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: -7.20000
beverages(nonalcoholic): -2.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -2.30000
fruit ices: -2.30000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -7.20000
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:
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):
Opinion of the Scientific Panel on food additives, flavourings, processing aids and materials in contact with food (AFC) related to Flavouring Group Evaluation 6 (FGE.06): Straight-and branched-chain aliphatic unsatured primary alcohols, aldehydes, carboxylic acids, and esters from chemical groups 1 and 4
View page or View pdf
Flavouring Group Evaluation 6, Revision 1 (FGE.06Rev1) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf
EPI System: View
AIDS Citations: Search
Cancer Citations: Search
Toxicology Citations: Search
EPA Substance Registry Services (TSCA): 7778-96-3
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 16204529
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 3,7-dimethyloct-7-enyl 3-methylbutanoate
Chemidplus: 0007778963
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References:
 3,7-dimethyloct-7-enyl 3-methylbutanoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 7778-96-3
Pubchem (cid): 16204529
Pubchem (sid): 135360182
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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
FDA Substances Added to Food (formerly EAFUS): View
HMDB (The Human Metabolome Database): HMDB37190
FooDB: FDB016192
Export Tariff Code: 2915.60.0000
ChemSpider: View
Synonyms   Articles   Notes   Search   Top
Potential Blenders and core components note
 
For Odor
aldehydic
aldehydic
6,7,8-decen-1-olFR
 nonanal diethyl acetalFL/FR
alliaceous
 dibutyl sulfideFL/FR
anisic
para-acetanisoleFL/FR
 ethyl para-anisateFL/FR
balsamic
 benzophenoneFR
isobutyl benzoateFL/FR
chocolate
isoamyl phenyl acetateFL/FR
citrus
 abronia fragranceFR
 citronitrile (Symrise)FR
ethereal
 ethyl acetateFL/FR
fatty
 methyl 10-undecenoateFL/FR
floral
 acetophenoneFL/FR
isoamyl undecylenateFL/FR
 benzyl alcoholFL/FR
 benzyl formateFL/FR
 benzyl isobutyrateFL/FR
 butyl benzyl etherFL/FR
 cassis buteneoneFR
 citronellalFL/FR
 citronellal diisotridecyl acetalFR
laevo-citronellolFL/FR
 citronellyl acetateFL/FR
(S)-citronellyl acetateFL/FR
 citronellyl anthranilateFL/FR
 citronellyl cinnamate 
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
(E)-citronellyl tiglateFL/FR
para-cresyl phenyl ether 
 cyclohexyl propanolFR
beta-damascenoneFL/FR
gamma-damasconeFR
delta-damasconeFL/FR
(Z)-alpha-damasconeFL/FR
(Z)-4-decen-1-yl acetateFL/FR
 dihydrocarvyl acetateFL/FR
 dihydrorose oxideFR
 dimethyl benzyl carbinyl acetateFL/FR
 ethyl linalyl acetateFR
 ethyl ortho-anisateFL/FR
 ethyl phenoxyacetateFR
 farnesyl acetateFL/FR
 floral pyranFR
 geraniolFL/FR
 geranium dihydropyranFR
 geranium nitrileFR
 geranium oil africaFL/FR
 geranium oil egyptFL/FR
 geranium oil egypt fractionsFR
 geranium oil terpenelessFL/FR
 geranium petiole oil indiaFL/FR
 geranium pyranFR
 geranium rose oilFL/FR
 geranium rose-scented oil cubaFR
 geranyl acetateFL/FR
 geranyl formateFL/FR
 geranyl hexanoateFL/FR
 geranyl isobutyrateFL/FR
(E)-geranyl linaloolFL/FR
 geranyl nonanoateCS
 geranyl propionateFL/FR
 geranyl tiglateFL/FR
 geranyl valerateFL/FR
 globulol 
 glycoacetalFR
 hawthorn ethanolFR
 heliotropinFL/FR
 heptanal cyclic trimethylene acetal 
para-methyl acetophenoneFL/FR
 methyl citronellateFL/FR
 methyl ionyl acetateFL/FR
2-methyl octanalFL/FR
 musk acetateFR
beta-naphthyl anthranilateFL/FR
 narcissus acetateFL/FR
 neryl acetateFL/FR
 neryl isovalerateFL/FR
 nonanolFL/FR
 octyl isovalerateFL/FR
 peony acetonitrileFR
 peony alcoholFR
 phenethyl acetateFL/FR
 phenethyl alcoholFL/FR
 phenethyl anthranilateFL/FR
 phenethyl formateFL/FR
 phenethyl heptanoateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 phenethyl lactateFL/FR
 phenethyl phenyl acetateFL/FR
 phenethyl pivalateFL/FR
 phenethyl propionateFL/FR
 phenethyl salicylateFL/FR
2-phenethyl valerateFL/FR
 phenyl acetaldehyde digeranyl acetalFR
 phenyl propyl phenyl acetateFR
 primrose fragranceFR
 rhodinolFL/FR
 rhodinol substituesFL/FR
 rhodinyl acetateFL/FR
 rhodinyl acetate substitutesFL/FR
 rhodinyl butyrateFL/FR
 rhodinyl formateFL/FR
 rhodinyl isobutyrateFL/FR
 rhodinyl phenyl acetateFL/FR
 rhodinyl propionateFL/FR
 rosa alba flower oil CO2 extractFR
 rose absolute (rosa centifolia)FL/FR
 rose absolute (rosa centifolia) moroccoFL/FR
 rose absolute (rosa damascena) bulgariaFL/FR
 rose absolute (rosa damascena) turkeyFL/FR
 rose absolute pentanolFR
 rose acetateFR
 rose blossom pentanolFR
 rose butanoateFL/FR
 rose carbonateFR
 rose concrete (rosa centifolia)FR
 rose concrete (rosa damascena)FR
 rose oil (rosa centifolia) egyptFL/FR
 rose oil (rosa damascena) bulgariaFL/FR
 rose oil (rosa damascena) iranFL/FR
 rose oil (rosa damascena) turkeyFL/FR
 rose oil replacerFR
(Z)-rose oxideFL/FR
laevo-rose oxideFL/FR
 rose pyranFR
 styralyl propionateFL/FR
2-undecen-1-olFL/FR
(E)-2-undecen-1-olFL/FR
fried
(E,Z)-2,4-decadienal 
fruity
bitter almond oilFL/FR
isoamyl 2-methyl butyrateFL/FR
 benzaldehydeFL/FR
 benzaldehyde glycrol acetalFL/FR
 bread thiopheneFL/FR
 cherry essenceFL/FR
sour cherry essenceFL/FR
black cherry infusionsFL/FR
 cherry oxyacetateFL/FR
 cherry propanolFL/FR
 citronellyl isobutyrateFL/FR
(E)-alpha-damasconeFL/FR
 ethyl 2-methyl butyrateFL/FR
 ethyl benzoyl acetateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
 ethyl para-methyl-beta-phenyl glycidateFR
(E)-ethyl tiglateFL/FR
 geranyl butyrateFL/FR
3-methyl-2-butenalFL/FR
 octyl formateFL/FR
 plum crotonateFR
 prunus amygdalus amara seed extractFL/FR
 strawberry glycidate 2FL/FR
green
 benzaldehyde dimethyl acetalFL/FR
isodecanalFL/FR
 diphenyl methaneFL/FR
 diphenyl oxideFL/FR
 geranium thiazoleFL/FR
2-heptyl tetrahydrofuranFR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
(Z)-3-hexen-1-yl pyruvateFL/FR
 hexyl phenyl acetateFL/FR
 lilac acetaldehydeFL/FR
[(4E,4Z)-5-methoxy-3-methyl-4-penten-1-yl] benzeneFR
 phenyl acetaldehydeFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
herbal
 chamomile valerateFR
 geranium cyclohexaneFR
 geranyl octanoateFL/FR
 linalyl formateFL/FR
laevo-menthyl propionateFL/FR
 rose oil (rosa centifolia) moroccoFL/FR
honey
 phenyl acetic acidFL/FR
leathery
 leather cyclohexanolFR
naphthyl
2,4-dimethyl benzaldehydeFL/FR
phenolic
2'-hydroxyacetophenoneFL/FR
 methyl benzoateFL/FR
powdery
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
spicy
(E)-cinnamyl isovalerateFL/FR
 cinnamyl propionateFL/FR
 maja fragranceFR
para-methoxycinnamaldehydeFL/FR
 pepper hexanoneFR
waxy
(E)-5-decen-1-ol 
 dihydrocitronellyl acetateFL/FR
 ethyl nonanoateFL/FR
winey
 butyl angelateFL/FR
woody
(E)-ethyl geranateFR
 santalyl butyrateFL/FR
 
For Flavor
 
No flavor group found for these
isoamyl undecylenateFL/FR
 butyl angelateFL/FR
 butyl benzyl etherFL/FR
 citronellyl cinnamate 
(Z)-alpha-damasconeFL/FR
(E,Z)-2,4-decadienal 
isodecanalFL/FR
(E)-5-decen-1-ol 
(Z)-4-decen-1-yl acetateFL/FR
 dihydrocitronellyl acetateFL/FR
 ethyl ortho-anisateFL/FR
(E)-geranyl linaloolFL/FR
 geranyl octanoateFL/FR
 geranyl valerateFL/FR
 globulol 
 heptanal cyclic trimethylene acetal 
3-heptyl acetateFL
 linalyl formateFL/FR
laevo-menthyl propionateFL/FR
2-methyl octanalFL/FR
 nonanal diethyl acetalFL/FR
 octyl isovalerateFL/FR
 phenethyl heptanoateFL/FR
 phenethyl lactateFL/FR
2-phenethyl valerateFL/FR
 rhodinyl acetate substitutesFL/FR
 santalyl butyrateFL/FR
2-undecen-1-olFL/FR
(E)-2-undecen-1-olFL/FR
anise
 ethyl para-anisateFL/FR
anisic
para-acetanisoleFL/FR
balsamic
 phenethyl pivalateFL/FR
berry
 rhodinol substituesFL/FR
cherry
 heliotropinFL/FR
para-methoxycinnamaldehydeFL/FR
 thenaldehydeFL
chocolate
 cherry chocolate fudge flavorFL
citrus
 cherry lemon lime flavorFL
 styralyl propionateFL/FR
creamy
para-methyl acetophenoneFL/FR
ethereal
 ethyl acetateFL/FR
floral
isoamyl phenyl acetateFL/FR
 cinnamyl propionateFL/FR
 citronellalFL/FR
laevo-citronellolFL/FR
(S)-citronellyl acetateFL/FR
 citronellyl acetateFL/FR
 citronellyl hexanoateFL/FR
 citronellyl propionateFL/FR
 dihydrocarvyl acetateFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 farnesyl acetateFL/FR
 geraniolFL/FR
 geranium oil africaFL/FR
 geranium oil egyptFL/FR
 geranium oil terpenelessFL/FR
 geranium petiole oil indiaFL/FR
 geranium rose oilFL/FR
 geranyl isobutyrateFL/FR
 geranyl tiglateFL/FR
 methyl citronellateFL/FR
 neryl acetateFL/FR
 phenethyl alcoholFL/FR
 phenethyl anthranilateFL/FR
 phenethyl propionateFL/FR
 phenyl acetic acidFL/FR
 rhodinolFL/FR
 rhodinyl acetateFL/FR
 rhodinyl butyrateFL/FR
 rhodinyl isobutyrateFL/FR
 rose absolute (rosa centifolia)FL/FR
 rose absolute (rosa centifolia) moroccoFL/FR
 rose absolute (rosa damascena) bulgariaFL/FR
 rose absolute (rosa damascena) turkeyFL/FR
 rose oil (rosa centifolia) egyptFL/FR
 rose oil (rosa damascena) bulgariaFL/FR
 rose oil (rosa damascena) iranFL/FR
 rose oil (rosa damascena) turkeyFL/FR
laevo-rose oxideFL/FR
fruity
 acerola fruit distillatesFL
bitter almond oilFL/FR
isoamyl 2-methyl butyrateFL/FR
para-anisyl acetateFL/FR
para-anisyl alcoholFL/FR
 benzaldehydeFL/FR
 benzaldehyde glycrol acetalFL/FR
 benzyl alcoholFL/FR
 benzyl formateFL/FR
 benzyl isobutyrateFL/FR
 bread thiopheneFL/FR
isobutyl benzoateFL/FR
 cherry distillatesFL
sour cherry essenceFL/FR
 cherry essenceFL/FR
burgundy cherry flavorFL
blue cherry flavorFL
fresh cherry flavorFL
maraschino cherry flavorFL
black cherry flavorFL
bing cherry flavorFL
dark cherry flavorFL
wild cherry flavorFL
wild red cherry flavorFL
sour cherry flavorFL
 cherry flavorFL
red cherry flavorFL
black cherry infusionsFL/FR
 cherry juice concentrateFL
sour cherry juice concentrateFL
black cherry juice concentrateFL
 cherry oxyacetateFL/FR
 cherry pit flavorFL
 cherry propanolFL/FR
(E)-cinnamyl isovalerateFL/FR
 citronellyl anthranilateFL/FR
 citronellyl isobutyrateFL/FR
para-cresyl phenyl ether 
(E)-alpha-damasconeFL/FR
 ethyl 2-methyl butyrateFL/FR
 ethyl benzoyl acetateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
(E)-ethyl tiglateFL/FR
 geranyl butyrateFL/FR
 geranyl hexanoateFL/FR
 hexyl phenyl acetateFL/FR
 lilac acetaldehydeFL/FR
 malpighia punicifolia fruit extractFL
3-methyl-2-butenalFL/FR
beta-naphthyl anthranilateFL/FR
 neryl isovalerateFL/FR
 phenethyl isovalerateFL/FR
 rhodinyl formateFL/FR
 rhodinyl propionateFL/FR
 rose butanoateFL/FR
 strawberry glycidate 2FL/FR
green
 benzaldehyde dimethyl acetalFL/FR
(E)-citronellyl tiglateFL/FR
 dibutyl sulfideFL/FR
 diphenyl methaneFL/FR
 diphenyl oxideFL/FR
 geranium thiazoleFL/FR
 geranyl acetateFL/FR
 geranyl formateFL/FR
(Z)-3-hexen-1-yl phenyl acetateFL/FR
(Z)-3-hexen-1-yl pyruvateFL/FR
 narcissus acetateFL/FR
 octyl formateFL/FR
 phenethyl formateFL/FR
 phenyl acetaldehyde dimethyl acetalFL/FR
(Z)-rose oxideFL/FR
herbal
 rose oil (rosa centifolia) moroccoFL/FR
honey
 phenethyl acetateFL/FR
 phenethyl isobutyrateFL/FR
 phenethyl phenyl acetateFL/FR
 phenyl acetaldehydeFL/FR
medicinal,
 phenethyl salicylateFL/FR
minty
 cherry menthol flavorFL
naphthyl
2,4-dimethyl benzaldehydeFL/FR
2'-hydroxyacetophenoneFL/FR
nutty
 prunus amygdalus amara seed extractFL/FR
phenolic
 methyl benzoateFL/FR
powdery
 acetophenoneFL/FR
tropical
 acerola flavorFL
waxy
 ethyl nonanoateFL/FR
 geranyl propionateFL/FR
 methyl 10-undecenoateFL/FR
 nonanolFL/FR
 rhodinyl phenyl acetateFL/FR
beta-damascenoneFL/FR
delta-damasconeFL/FR
 methyl ionyl acetateFL/FR
 
Synonyms   Articles   Notes   Search   Top
Potential Uses:
 almondFR
 apricotFR
 cherryFR
 peachFR
 plumFR
Synonyms   Articles   Notes   Search   Top
Occurrence (nature, food, other): note
 not found in nature
Synonyms   Articles   Notes   Search   Top
Synonyms:
(S)-3,7-dimethyl oct-7-enyl 3-methyl butanoate
(S)-3,7-dimethyl oct-7-enyl isovalerate
3,7-dimethyl-6 or 7-octen-1-yl 3-methyl butanoate
3,7-dimethyl-6 or 7-octen-1-yl isopentanoate
3,7-dimethyl-6 or 7-octen-1-yl isovalerate
3,7-dimethyloct-7-enyl 3-methylbutanoate
 rhodinyl 3-methyl butanoate
 rhodinyl isopentanoate
 rhodinyl isovalerianate
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