phenethyl senecioate
2-phenylethyl 3-methylcrotonate
 
Notes:
2-Phenylethyl 3-methyl-2-butenoate is a food flavour.
  • SRS Aromatics
    • SRS Aromatics Ltd
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      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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      Product(s):
      PHENYL ETHYL SENECIOATE
       
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2-phenylethyl 3-methylbut-2-enoate (Click)
CAS Number: 42078-65-9Picture of molecule
ECHA EINECS - REACH Pre-Reg: 255-649-4
FDA UNII: RB4P98KP6R
Nikkaji Web: J278.324J
CoE Number: 246
XlogP3: 3.70 (est)
Molecular Weight: 204.26892000
Formula: C13 H16 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
JECFA Food Flavoring: 998  phenethyl senecioate
Flavis Number: 09.407 (Old)
DG SANTE Food Flavourings: 09.407  2-phenylethyl 3-methylcrotonate
FEMA Number: 2869  phenethyl senecioate
FDA Mainterm: PHENETHYL SENECIOATE
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 liquid (est)
Assay: 97.00 to 100.00 % 
Food Chemicals Codex Listed: No
Specific Gravity: 1.01100 to 1.01900 @  25.00 °C.
Pounds per Gallon - (est).: 8.413 to  8.479
Refractive Index: 1.51400 to 1.52000 @  20.00 °C.
Boiling Point: 285.00 to  287.00 °C. @ 760.00 mm Hg
Vapor Pressure: 0.000776 mm/Hg @ 25.00 °C. (est)
Flash Point: 334.00 °F. TCC ( 167.78 °C. )
logP (o/w): 4.060 (est)
Soluble in:
 alcohol
 water, 19.95 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
prenyl senecioate
Synonyms   Articles   Notes   Search   Top
Organoleptic Properties:
Odor Type: herbal
Odor Strength: medium
 sweet  herbal  winey  
Odor Description:
at 100.00 %. 
deep sweet herbal wine
  
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Cosmetic Information:
None found
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Suppliers:
BOC Sciences
For experimental / research use only.
Phenylethyl senecioate
Grau Aromatics
PHENYLETHYL-SENECIOATE
NI, Kosher
SRS Aromatics
PHENYL ETHYL SENECIOATE
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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 phenethyl senecioate usage levels up to:
  2.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 1.30 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): ND (μg/capita/day)
Structure Class: I
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: --
beverages(nonalcoholic): --
beverages(alcoholic): -5.00000
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: --
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: -5.00000
fruit ices: -5.00000
gelatins / puddings: --
granulated sugar: --
gravies: --
hard candy: -5.00000
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:
Flavor & Extract Manufacturers Association (FEMA) reference(s):
The FEMA GRAS assessment of phenethyl alcohol, aldehydes, acids, and related acetals and esters used as flavor ingredients.View pdf
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 14 (FGE.14): Phenethyl alcohol, aldehyde, esters, and related phenylacetic acid esters from chemical group 15 (Commission Regulation (EC) No 1565/2000 of 18 July 2000)
View page or View pdf
Flavouring Group Evaluation 53 (FGE.53): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) structurally related to phenethyl alcohol, aldehyde, esters and related phenylacetic acid esters evaluated by EFSA in FGE.14 (2005) and one phenoxyethyl ester evaluated in FGE.23 (2006) (Commission Regulation (EC) No 1565/2000 of 18 July 2000) - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC)
View page or View pdf
Flavouring Group Evaluation 14, Revision 1 (FGE.14Rev1): Phenethyl alcohol, aldehyde, acetals, carboxylic acid and related esters from chemical group 15 and 22 [1] - Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in Contact with Food
View page or View pdf
Flavouring Group Evaluation 53, Revision 1 (FGE.53Rev1): Consideration of phenethyl alcohol, aldehyde, acid and related acetals and esters evaluated by JECFA (59th meeting) FGE.23Rev1 (2008)
View page or View pdf
EPI System: View
EPA Substance Registry Services (TSCA): 42078-65-9
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 61997
National Institute of Allergy and Infectious Diseases: Data
 2-phenylethyl 3-methylbut-2-enoate
Chemidplus: 0042078659
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References:
 2-phenylethyl 3-methylbut-2-enoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 42078-65-9
Pubchem (cid): 61997
Pubchem (sid): 135019821
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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
FDA Everything Added to Food in the United States (EAFUS): View
HMDB (The Human Metabolome Database): HMDB37721
FooDB: FDB016850
Export Tariff Code: 2916.12.6000
ChemSpider: View
Read: Under the conditions of intended use - New developments in the FEMA GRAS program and the safety assessment of flavor ingredients
Read: A GRAS assessment program for flavor ingredients
Read: Sensory testing for flavorings with modifying properties. Food Technology
Read: Criteria for the safety evaluation of flavoring substances
Read: A procedure for the safety evaluation of natural flavor complexes used as ingredients in food: essential oils
Read: FEMA Expert Panel: 30 Years of safety evaluation for the flavor industry
Read: Consumption ratio and food predominance of flavoring materials
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Potential Blenders and core components note
 
For Odor
balsamic
balsamic
 bornyl formateFL/FR
 frankincense absoluteFL/FR
 opoponax oil (balsamodendron kafal)FL/FR
 opoponax resinoid (balsamodendron kafal)FR
 terpinyl cinnamateFL/FR
caramellic
 diethyl malateFL/FR
earthy
 amyl octanoateFL/FR
ethereal
isoamyl acetoacetateFL/FR
isobutyl alcoholFL/FR
fatty
 butyl undecylenateFL/FR
fermented
 methyl decanoateFL/FR
3-methyl-1-pentanolFL/FR
floral
 dimethyl anthranilateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
isobutyl acetoacetateFL/FR
 butyl anthranilateFL/FR
 butyl hexanoateFL/FR
 diethyl laevo-tartrateFL/FR
 diethyl sebacateFL/FR
 ethyl 3,5,5-trimethyl hexanoateFR
 ethyl heptanoateFL/FR
 farnesyl acetoneFL/FR
 geranyl acetoacetateFL/FR
 methyl nonanoateFL/FR
2-pentanoneFL/FR
 propyl heptanoateFL/FR
 sorbyl butyrateFL/FR
green
 benzaldehyde dimethyl acetalFL/FR
green cognac oilFL/FR
 heptanal (aldehyde C-7)FL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
 hexyl isobutyrateFL/FR
 hexyl phenyl acetateFL/FR
herbal
isoamyl tiglateFL/FR
 anthemis nobilis flower oil romanFL/FR
 clary sage concreteFL/FR
white cognac oilFL/FR
 ethyl chrysanthemateFR
 rosemary absoluteFL/FR
honey
 methyl hydrocinnamateFL/FR
roasted
2-methyl-1-butanolFL/FR
waxy
 allyl nonanoateFL/FR
isoamyl laurateFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
winey
 butyl angelateFL/FR
2-hexanolFL/FR
woody
 cistus twig/leaf absoluteFR
 woody acetateFR
 
For Flavor
 
No flavor group found for these
 amyl octanoateFL/FR
isoamyl tiglateFL/FR
2-amyl-5 or 6-keto-1,4-dioxaneFL
 bornyl formateFL/FR
 butyl angelateFL/FR
isobutyraldehyde propylene glycol acetalFL
 diethyl laevo-tartrateFL/FR
 diethyl malateFL/FR
 diethyl sebacateFL/FR
 ethyl aconitateFL
 farnesyl acetoneFL/FR
 geranyl acetoacetateFL/FR
 heptanal (aldehyde C-7)FL/FR
2-hexanolFL/FR
 methyl hydrocinnamateFL/FR
2-methyl-1-butanolFL/FR
 sorbyl propionateFL
balsamic
 opoponax oil (balsamodendron kafal)FL/FR
ethereal
isobutyl alcoholFL/FR
fatty
isoamyl laurateFL/FR
 butyl undecylenateFL/FR
 methyl decanoateFL/FR
fruity
isoamyl acetoacetateFL/FR
isobutyl acetoacetateFL/FR
 butyl anthranilateFL/FR
 butyl hexanoateFL/FR
 dimethyl anthranilateFL/FR
 ethyl heptanoateFL/FR
 hexyl phenyl acetateFL/FR
2-pentanoneFL/FR
 sorbyl butyrateFL/FR
 terpinyl cinnamateFL/FR
fusel
green cognac oilFL/FR
white cognac oilFL/FR
green
 benzaldehyde dimethyl acetalFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
(Z)-3-hexen-1-yl salicylateFL/FR
 hexyl isobutyrateFL/FR
herbal
 anthemis nobilis flower oil romanFL/FR
 clary sage concreteFL/FR
 rosemary absoluteFL/FR
medicinal
 frankincense absoluteFL/FR
musty
 propionaldehydeFL
waxy
 allyl nonanoateFL/FR
 ethyl nonanoateFL/FR
 ethyl octanoateFL/FR
 propyl heptanoateFL/FR
whiskey
3-methyl-1-pentanolFL/FR
winey
 methyl nonanoateFL/FR
 
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Potential Uses:
 balsamFR
 herbalFR
 narcissus narcisseFR
 wineFR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
2-butenoic acid, 3-methyl-, 2-phenethyl ester
2-butenoic acid, 3-methyl-, 2-phenylethyl ester
3-methyl-2-butenoic acid 2-phenethyl ester
3-methyl-2-butenoic acid, 2-phenylethyl ester
 phenethyl 3-methyl but-2-enoate
 phenethyl 3-methyl crotonate
 phenethyl 3-methylbut-2-enoate
 phenethyl 3-methylcrotonate
 phenethyl 3,3-dimethyl acrylate
 phenethyl 3,3-dimethylacrylate
2-phenethyl senecioate
2-phenyl ethyl 3-methyl-2-butenoate
 phenyl ethyl beta,beta-dimethyl acrylate
 phenyl ethyl senecioate
2-phenylethyl 3-methyl-2-butenoate
2-phenylethyl 3-methylbut-2-enoate
2-phenylethyl 3-methylcrotonate
 phenylethyl beta,beta-dimethylacrylate
2-phenylethyl senecioate
 phenylethyl-senecioate
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Articles:
 None found yet.
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