prenyl senecioate
2-butenoic acid, 3-methyl-, 3-methyl-2-buten-1-yl ester
 
Notes:
None found
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CAS Number: 72779-06-7Picture of molecule3D/inchi
ECHA EINECS - REACH Pre-Reg: 276-828-3
Nikkaji Web: J296.376K
XlogP3-AA: 3.10 (est)
Molecular Weight: 168.23592000
Formula: C10 H16 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: 95.00 to 100.00 % 
Food Chemicals Codex Listed: No
Boiling Point: 217.00 to  219.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.127000 mmHg @ 25.00 °C. (est)
Flash Point: 191.00 °F. TCC ( 88.33 °C. )
logP (o/w): 3.003 (est)
Soluble in:
 alcohol
 water, 65.16 mg/L @ 25 °C (est)
Insoluble in:
 water
Similar Items: note
isoamyl senecioate
citronellyl senecioate
alpha-citronellyl senecioate
ethyl senecioate
(Z)-3-hexen-1-yl senecioate
phenethyl senecioate
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Organoleptic Properties:
 
Odor Type: herbal
 
Odor Strength: medium
 
 warm  herbal  green  chervil  
Odor Description:
at 100.00 %. 
warm herbal green chervil
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
Chemical Sources Association
Need This Item for Flavor/Food?: You can contact the CSA
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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
 
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Safety References:
EPI System: View
EPA Substance Registry Services (TSCA): 72779-06-7
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 166302
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 3-methylbut-2-enyl 3-methylbut-2-enoate
Chemidplus: 0072779067
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References:
 3-methylbut-2-enyl 3-methylbut-2-enoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 72779-06-7
Pubchem (cid): 166302
Pubchem (sid): 135121403
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
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
aldehydic
 agrumen nitrileFR
animal
isobutyl quinolineFR
anisic
 estragoleFL/FR
 ocimum basilicum leaf oil americaFL/FR
balsamic
 cinnamyl formateFL/FR
christmas pine fragranceFR
caramellic
2-isobutyl-3-methyl pyrazineFL/FR
citrus
isodecyl acetateFR
 ocimene quintoxideFL/FR
earthy
 geosminFL/FR
(S)-1-octen-3-olFL/FR
ethereal
 ethyl 4-pentenoateFL/FR
fatty
2-octenalFL/FR
floral
 cassis oxime 10%FR
 cilantro herb oil egyptFL/FR
 cymbopogon validus leaf oilFR
 dictamnus hispanicus oilFR
 dihydrocitronellyl ethyl etherFR
 dihydrorose oxideFR
 dimethyl benzyl carbinyl butyrateFL/FR
2,4-dimethyl-3-cyclohexene-1-methanolFR
2,4-dimethyl-alpha-allyl-3-cyclohexene methanol 
4,6-dimethyl-alpha-allyl-3-cyclohexene methanol 
 geranium oil egyptFL/FR
 linden flower absoluteFR
 melaleuca ericifolia leaf oilFR
para-methyl benzyl acetateFL/FR
 neryl formateFL/FR
3-nonanoneFL/FR
isophytolFL/FR
 prenyl salicylateFL/FR
 reseda absoluteFR
 rose pyranFR
5-tricyclodecenyl acetateFR
fruity
3-butyl bicyclo[3.2.1]-6-octen-2-oneFR
 ethyl 2-ethyl acetoacetateFL/FR
1-ethyl-2-methyl propyl chrysanthemumate 
 tropical indeneFR
garlic
4-methyl-2-[2-(methyl thio)ethyl]-1,3-oxathiane 
green
 agrumen aldehydeFR
 birch leaf specialtyFR
isobutyl heptanoateFL/FR
isobutyl methyl ketoneFL/FR
S-sec-butyl thioisovalerateFL/FR
 carrot leaf oil (daucus carota ssp.maximus)FR
 chrysanthemum carbaldehydeFR
 heptanal (aldehyde C-7)FL/FR
 heptyl benzoateFL/FR
(E)-4-hexen-1-ol 
3-hexenyl 2-methyl butyrateFL/FR
english ivy leaf absoluteFR
 marigold pot absoluteFL/FR
6-methyl-3-hepten-2-oneFL/FR
3-propyl bicyclo(3.2.1)-6-octen-2-oneFR
 seaweed absolute (fucus vesiculosus et serratus)FL/FR
 terpinyl propionateFL/FR
 triplal / ethyl anthranilate schiff's baseFR
9-acetyl-5-methyl-tricyclo[6.2.1.0.sup.2,7 ]undec-4-ene 
 anethum graveolens herb oilFL/FR
 anethum graveolens herb tinctureFL/FR
 anthemis nobilis flower extractFL/FR
 anthemis nobilis flower oil romanFL/FR
 apium graveolens seed oilFL/FR
 apium graveolens seed oil indiaFL/FR
 artemisia alba oilFR
sweet basil absoluteFL/FR
(+)-alpha-campholenic aldehydeFL/FR
 chrysanthemum ketoneFR
 coriander oleoresinFL/FR
 dill weed oil cubaFL/FR
 dill weed oil reunionFL/FR
 dimethyl benzyl carbinyl formateFL/FR
2-(2,4-dimethyl-3-cyclohexene-1-yl)-4,4-dimethyl-1,3-oxathianeFR
cis-herbal cyclohexaneFR
 herbal dioxaneFR
 herbal heptaneFR
 hop absoluteFL/FR
 hop oilFL/FR
 lantana camara flower oilFR
 marigold oil mexicoFL/FR
 melaleuca leucadendron var. cajuputi leaf oilFL/FR
1-(2-methyl allyl oxy) heptaneFR
(E)-6-methyl-3-hepten-2-oneFL/FR
 mistletoe absolute 
 monarda fistulosa oilFR
 nonisyl formateFR
(E,Z)-3,5-octadien-2-one 
1-octen-3-yl acetateFL/FR
 oregano specialtyFR
 origanum oilFL/FR
 origanum oil greeceFL/FR
 perilla leaf oilFL/FR
 perillaldehydeFL/FR
 petroselinum crispum seed oil CO2 extractFL/FR
 phenyl acetaldehyde diisoamyl acetalFR
 rosmarinus officinalis extractFL/FR
 rosmarinus officinalis tinctureFL/FR
 tagete oil CO2 extractFL/FR
 tagete oil rwandaFL/FR
 theaspiraneFL/FR
 thyme absoluteFL/FR
 tricyclodecyl acetateFR
 viridiflorolFL/FR
 wormwood oil americaFL/FR
 wormwood oil italyFL/FR
 wormwood oil polandFL/FR
minty
(-)-menthoneFL/FR
mossy
 treemoss absoluteFR
soapy
 methyl anthranilate / hexyl cinnamaldehyde schiff's baseFR
spicy
isobutyl angelateFL/FR
 cuminaldehydeFL/FR
 origanum majorana oilFL/FR
 outdoors specialtyFR
 spicy carbonateFR
woody
 cinnamyl tiglateFL/FR
 dalbergia sissoo leaf oilFR
alpha-farneseneFL/FR
alpha-farnesene isomerFL/FR
alpha-thujene 
 verdoxanFR
 
For Flavor
 
No flavor group found for these
4-acetyl-2-isopropenyl pyridineFL
9-acetyl-5-methyl-tricyclo[6.2.1.0.sup.2,7 ]undec-4-ene 
isobutyl heptanoateFL/FR
4-butyl thiazoleFL
S-sec-butyl thioisovalerateFL/FR
 cinnamyl tiglateFL/FR
 dimethyl benzyl carbinyl formateFL/FR
 ethyl 4-pentenoateFL/FR
1-ethyl-2-methyl propyl chrysanthemumate 
 fig leaf absoluteFL
 heptyl benzoateFL/FR
(E,E)-2,4-hexadien-1-olFL
 melaleuca leucadendron var. cajuputi leaf oilFL/FR
4-methyl-2-[2-(methyl thio)ethyl]-1,3-oxathiane 
(E)-6-methyl-3-hepten-2-oneFL/FR
6-methyl-3-hepten-2-oneFL/FR
 mistletoe absolute 
(E,Z)-3,5-octadien-2-one 
(S)-1-octen-3-olFL/FR
2-octenalFL/FR
3-octyl butyrateFL
 perilla leaf oilFL/FR
 seaweed absolute (fucus vesiculosus et serratus)FL/FR
alpha-thujene 
ortho-vinyl anisoleFL
 viridiflorolFL/FR
cooling
 theaspiraneFL/FR
earthy
 geosminFL/FR
floral
 dimethyl benzyl carbinyl butyrateFL/FR
4,6-dimethyl-alpha-allyl-3-cyclohexene methanol 
2,4-dimethyl-alpha-allyl-3-cyclohexene methanol 
 geranium oil egyptFL/FR
fruity
 ethyl 2-ethyl acetoacetateFL/FR
para-methyl benzyl acetateFL/FR
 neryl formateFL/FR
 tagete oil CO2 extractFL/FR
 tagete oil rwandaFL/FR
green
 anethum graveolens herb tinctureFL/FR
isobutyl angelateFL/FR
isobutyl methyl ketoneFL/FR
2-isobutyl-3-methyl pyrazineFL/FR
(+)-alpha-campholenic aldehydeFL/FR
 celery distillatesFL
alpha-farneseneFL/FR
alpha-farnesene isomerFL/FR
 heptanal (aldehyde C-7)FL/FR
(E)-4-hexen-1-ol 
3-hexenyl 2-methyl butyrateFL/FR
 marigold pot absoluteFL/FR
3-nonanoneFL/FR
 ocimene quintoxideFL/FR
1-octen-3-yl acetateFL/FR
 terpinyl propionateFL/FR
herbal
 anethum graveolens herb oilFL/FR
 anthemis nobilis flower extractFL/FR
 anthemis nobilis flower oil romanFL/FR
 apium graveolens seed oilFL/FR
 apium graveolens seed oil indiaFL/FR
sweet basil absoluteFL/FR
 celery seed oleoresinFL
 cilantro herb oil egyptFL/FR
 coriander oleoresinFL/FR
 dill weed oil cubaFL/FR
 dill weed oil reunionFL/FR
 hop absoluteFL/FR
 hop oilFL/FR
 marigold oil mexicoFL/FR
 ocimum basilicum leaf oil americaFL/FR
 origanum majorana oilFL/FR
 origanum oilFL/FR
 origanum oil greeceFL/FR
 petroselinum crispum seed oil CO2 extractFL/FR
 prenyl salicylateFL/FR
 rosmarinus officinalis extractFL/FR
 rosmarinus officinalis tinctureFL/FR
 thyme absoluteFL/FR
 wormwood oil americaFL/FR
 wormwood oil italyFL/FR
 wormwood oil polandFL/FR
licorice
 estragoleFL/FR
minty
(-)-menthoneFL/FR
oily
isophytolFL/FR
spicy
 cinnamyl formateFL/FR
 cuminaldehydeFL/FR
 perillaldehydeFL/FR
 
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Potential Uses:
None Found
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
2-butenoic acid, 3-methyl-, 3-methyl-2-buten-1-yl ester
3-methyl but-2-enyl 3-methyl but-2-enoate
3-methyl-2-butenoic acid 3-methyl but-2-enyl ester
3-methyl-2-butenoic acid 3-methylbut-2-enyl ester
3-methyl-2-butenyl 3-methyl-2-butenoate
3-methylbut-2-enyl 3-methylbut-2-enoate
 prenyl 3-methyl but-2-enoate
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Articles:
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