(E)-cinnamyl isovalerate
butanoic acid, 3-methyl-, (2E)-3-phenyl-2-propen-1-yl ester
 
Notes:
None found
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      Product(s):
      140-27-2 trans-Cinnamyl Isovalerate
       
  • Sigma-Aldrich
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CAS Number: 69121-78-4Picture of molecule3D/inchi
FDA UNII: 5JHK9Y2XRM
Nikkaji Web: J503.383G
Beilstein Number: 3201227
MDL: MFCD00048351
CoE Number: 454
XlogP3: 3.90 (est)
Molecular Weight: 218.29586000
Formula: C14 H18 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
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 98.00 to 100.00 % 
Food Chemicals Codex Listed: Yes
Specific Gravity: 0.99100 to 0.99600 @  25.00 °C.
Pounds per Gallon - (est).: 8.246 to  8.288
Refractive Index: 1.51800 to 1.52400 @  20.00 °C.
Boiling Point: 313.00 to  315.00 °C. @ 760.00 mm Hg
Acid Value: 3.00 max. KOH/g
Vapor Pressure: 0.000260 mmHg @ 25.00 °C. (est)
Flash Point: > 230.00 °F. TCC ( > 110.00 °C. )
logP (o/w): 4.013 (est)
Soluble in:
 alcohol
 fixed oils
 water, 8.282 mg/L @ 25 °C (est)
Insoluble in:
 water
 propylene glycol
 glycerin
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Organoleptic Properties:
 
Odor Type: spicy
 
Odor Strength: medium
 
Substantivity: 100 hour(s) at 100.00 %
 
 sweet  spicy  melon  cherry  apple green apple  blueberry  
Odor Description:
at 100.00 %. 
sweet spice melon cherry green apple blueberry
 
 
Flavor Type: fruity
 
 fruity  cherry  melon  pineapple  green  
Taste Description:
fruity cherry melon pineapple green
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
trans-Cinnamyl Isovalerate
Sigma-Aldrich
trans-Cinnamyl isovalerate, ≥95%, FCC, FG
Odor: balsam; blueberry; grape; honey; spicy; fruity; pear; rose; sour; wine-like; woody .
Certified Food Grade Products
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Safety Information:
Preferred SDS: View
European information :
Most important hazard(s):
Xi - Irritant
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves and eye/face protection.
 
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 (E)-cinnamyl isovalerate usage levels up to:
  8.0000 % in the fragrance concentrate.
 
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Safety References:
EPI System: View
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5355855
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 [(E)-3-phenylprop-2-enyl] 3-methylbutanoate
Chemidplus: 0000140272
RTECS: EK7902515 for cas# 69121-78-4
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References:
 [(E)-3-phenylprop-2-enyl] 3-methylbutanoate
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 5355855
Pubchem (sid): 135017147
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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
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
anisic
anisic
para-acetanisoleFL/FR
balsamic
isobutyl cinnamateFL/FR
 cinnamyl alcoholFL/FR
 cinnamyl butyrateFL/FR
 ethyl cinnamateFL/FR
(Z)-3-hexen-1-yl cinnamateFR
 linalyl cinnamateFL/FR
 octyl cinnamateFR
 peru balsam oilFL/FR
2-phenoxyethyl formateFR
 terpinyl cinnamateFL/FR
 tetrahydrofurfuryl cinnamateFL/FR
berry
 raspberry ketone acetateFL/FR
caramellic
 diethyl malateFL/FR
earthy
 amyl octanoateFL/FR
3-octen-2-oneFL/FR
ethereal
isoamyl acetoacetateFL/FR
isobutyl alcoholFL/FR
fatty
 butyl undecylenateFL/FR
fermented
 methyl decanoateFL/FR
3-methyl-1-pentanolFL/FR
 propyl nonanoateFL/FR
floral
 dimethyl anthranilateFL/FR
para-methyl acetophenoneFL/FR
 phenethyl butyrateFL/FR
 phenethyl pivalateFL/FR
fruity
isoamyl 2-methyl butyrateFL/FR
isoamyl hexanoateFL/FR
isoamyl octanoateFL/FR
 benzaldehyde glycrol acetalFL/FR
isobutyl acetoacetateFL/FR
 butyl anthranilateFL/FR
isobutyl hexanoateFL/FR
 butyl hexanoateFL/FR
 butyl isovalerateFL/FR
 cherry oxyacetateFL/FR
 cherry propanolFL/FR
 diethyl laevo-tartrateFL/FR
 diethyl malonateFL/FR
 diethyl sebacateFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl 2-methyl butyrateFL/FR
 ethyl 2-octenoateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl acetoacetateFL/FR
 ethyl benzoyl acetateFL/FR
 ethyl heptanoateFL/FR
 ethyl isovalerateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
(E,E)-ethyl sorbateFL/FR
 farnesyl acetoneFL/FR
 geranyl acetoacetateFL/FR
 geranyl isovalerateFL/FR
 green acetateFR
 heptyl isobutyrateFL/FR
 hexyl (E)-tiglateFL/FR
 hexyl acetateFL/FR
 methyl 2-methyl butyrateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
 methyl nonanoateFL/FR
2-pentanoneFL/FR
isopropyl 2-methyl butyrateFL/FR
 propyl 2,4-decadienoateFL/FR
 propyl butyrateFL/FR
 propyl heptanoateFL/FR
 sorbyl butyrateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
green
 benzaldehyde dimethyl acetalFL/FR
green cognac oilFL/FR
 ethyl (E)-4-decenoateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl phenyl acetateFL/FR
 lilac acetaldehydeFL/FR
 manzanate (Givaudan)FL/FR
(E,Z)-3,6-nonadien-1-yl acetateFL/FR
3,6-nonadien-1-yl acetateFL/FR
 phenoxyethyl isobutyrateFL/FR
herbal
isoamyl tiglateFL/FR
 clary sage concreteFL/FR
white cognac oilFL/FR
isodihydrolavandulalFL/FR
 ethyl chrysanthemateFR
 phenethyl senecioateFL/FR
 pinocarveolFL/FR
honey
 methyl hydrocinnamateFL/FR
melon
 melon carboxaldehydeFR
 watermelon ketoneFR
roasted
2-methyl-1-butanolFL/FR
spicy
 cinnamyl isovalerateFL/FR
waxy
 allyl nonanoateFL/FR
isoamyl laurateFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
2,4-nonadien-1-olFL/FR
(Z)-3-nonen-1-olFL/FR
winey
 butyl angelateFL/FR
2-hexanolFL/FR
woody
isobornyl isovalerateFL/FR
yeasty
2-octen-4-oneFL/FR
 
For Flavor
 
No flavor group found for these
 amyl octanoateFL/FR
isoamyl tiglateFL/FR
2-amyl-5 or 6-keto-1,4-dioxaneFL
 butyl angelateFL/FR
isobutyraldehyde propylene glycol acetalFL
 diethyl laevo-tartrateFL/FR
 diethyl malateFL/FR
 ethyl aconitateFL
 farnesyl acetoneFL/FR
 geranyl acetoacetateFL/FR
2-hexanolFL/FR
2-hexenal diethyl acetalFL
 methyl furfuracrylateFL
 methyl hydrocinnamateFL/FR
2-methyl-1-butanolFL/FR
 phenethyl senecioateFL/FR
 propyl nonanoateFL/FR
 sorbyl propionateFL
 tetrahydrofurfuryl cinnamateFL/FR
anisic
para-acetanisoleFL/FR
balsamic
isobutyl cinnamateFL/FR
 ethyl cinnamateFL/FR
 peru balsam oilFL/FR
 phenethyl pivalateFL/FR
berry
 heptyl isobutyrateFL/FR
 raspberry ketone acetateFL/FR
camphoreous
 pinocarveolFL/FR
coffee
 diisoamyl thiomalateFL
cooling
 manzanate (Givaudan)FL/FR
creamy
para-methyl acetophenoneFL/FR
3-octen-2-oneFL/FR
estery
 ethyl acetoacetateFL/FR
ethereal
isobutyl alcoholFL/FR
fatty
isoamyl laurateFL/FR
 ethyl (E)-4-decenoateFL/FR
 methyl decanoateFL/FR
2,4-nonadien-1-olFL/FR
fruity
isoamyl 2-methyl butyrateFL/FR
isoamyl acetoacetateFL/FR
isoamyl hexanoateFL/FR
isoamyl octanoateFL/FR
 benzaldehyde glycrol acetalFL/FR
isobutyl acetoacetateFL/FR
 butyl anthranilateFL/FR
 butyl hexanoateFL/FR
isobutyl hexanoateFL/FR
 butyl isovalerateFL/FR
 cherry oxyacetateFL/FR
 cherry propanolFL/FR
 cinnamyl isovalerateFL/FR
 diethyl malonateFL/FR
 diethyl sebacateFL/FR
 dimethyl anthranilateFL/FR
 ethyl (E)-2-decenoateFL/FR
 ethyl (E)-2-octenoateFL
 ethyl 2-methyl butyrateFL/FR
 ethyl 2-octenoateFL/FR
 ethyl 3-oxohexanoateFL
 ethyl benzoyl acetateFL/FR
 ethyl heptanoateFL/FR
 ethyl isovalerateFL/FR
 ethyl methyl-para-tolyl glycidateFL/FR
(E,E)-ethyl sorbateFL/FR
 hexyl acetateFL/FR
 hexyl phenyl acetateFL/FR
 lilac acetaldehydeFL/FR
 linalyl cinnamateFL/FR
 methyl 2-methyl butyrateFL/FR
2-methyl butyl 2-methyl butyrateFL/FR
(Z)-5-octen-1-yl acetateFL
2-pentanoneFL/FR
 phenethyl butyrateFL/FR
isopropyl 2-methyl butyrateFL/FR
 propyl butyrateFL/FR
 sorbyl butyrateFL/FR
 terpinyl cinnamateFL/FR
 tetrahydrofurfuryl butyrateFL/FR
fusel
white cognac oilFL/FR
green cognac oilFL/FR
green
 benzaldehyde dimethyl acetalFL/FR
 cinnamyl alcoholFL/FR
 geranyl isovalerateFL/FR
(Z)-3-hexen-1-yl 2-methyl butyrateFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(E)-2-hexenal diethyl acetalFL
 hexyl (E)-tiglateFL/FR
 hexyl isobutyrateFL/FR
4-methyl-2-pentenalFL
3,6-nonadien-1-yl acetateFL/FR
(E,Z)-3,6-nonadien-1-yl acetateFL/FR
 phenoxyethyl isobutyrateFL/FR
herbal
 clary sage concreteFL/FR
isodihydrolavandulalFL/FR
melon
 propyl 2,4-decadienoateFL/FR
musty
 propionaldehydeFL
vegetable
2-octen-4-oneFL/FR
waxy
 allyl nonanoateFL/FR
 butyl undecylenateFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
(Z)-3-nonen-1-olFL/FR
 propyl heptanoateFL/FR
whiskey
3-methyl-1-pentanolFL/FR
winey
 cinnamyl butyrateFL/FR
 methyl nonanoateFL/FR
woody
isobornyl isovalerateFL/FR
 
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Potential Uses:
 appleFR
 apricotFR
 blueberryFR
 breadFL
 cherryFR
 grapeFR
 mapleFR
 melonFR
 peachFR
 pearFR
 pepper tabasco pepperFL
 pineappleFR
 plumFR
 roseFR
 rose tea roseFR
 spiceFR
 strawberryFR
 walnutFL
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Occurrence (nature, food, other): note
 found in nature
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Synonyms:
 butanoic acid, 3-methyl-, (2E)-3-phenyl-2-propen-1-yl ester
trans-cinnamyl isovalerate
(2E)-3-phenylprop-2-en-1-yl 3-methylbutanoate
[(E)-3-phenylprop-2-enyl] 3-methylbutanoate
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