EU/US Properties Organoleptics Cosmetics Suppliers Safety Safety in use Safety references References Other Blenders Uses Occurrence Synonyms Articles Notes
 

phenethyl senecioate
2-phenylethyl 3-methylcrotonate

Sponsors

Name:2-phenylethyl 3-methylbut-2-enoate
CAS Number: 42078-65-9Picture of molecule3D/inchi
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:No longer provide for the use of these seven synthetic flavoring substances
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.
 
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)
Similar Items:note
isoamyl senecioate
citronellyl senecioate
alpha-citronellyl senecioate
ethyl senecioate
(Z)-3-hexen-1-yl senecioate
prenyl senecioate
 
Organoleptic Properties:
Odor Type: herbal
Odor Strength:medium
sweet herbal winey
Odor Description:at 100.00 %. deep sweet herbal wine
Odor and/or flavor descriptions from others (if found).
 
Cosmetic Information:
None found
 
Suppliers:
BOC Sciences
For experimental / research use only.
Phenylethyl senecioate
Grau Aromatics
PHENYLETHYL-SENECIOATE
NI, Kosher
SRS Aromatics
PHENYL ETHYL SENECIOATE
 
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
 
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
 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: --
 
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 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
 
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
 
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
 
Potential Blenders and core components note
For Odor
balsamic
bornyl formate
FL/FR
frankincense absolute
FL/FR
opoponax oil (balsamodendron kafal)
FL/FR
opoponax resinoid (balsamodendron kafal)
FR
terpinyl cinnamate
FL/FR
caramellic
diethyl malate
FL/FR
earthy
amyl octanoate
FL/FR
ethereal
iso
amyl acetoacetate
FL/FR
iso
butyl alcohol
FL/FR
fatty
butyl undecylenate
FL/FR
fermented
methyl decanoate
FL/FR
3-
methyl-1-pentanol
FL/FR
floral
dimethyl anthranilate
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
fruity
iso
butyl acetoacetate
FL/FR
butyl anthranilate
FL/FR
butyl hexanoate
FL/FR
diethyl laevo-tartrate
FL/FR
diethyl sebacate
FL/FR
ethyl 3,5,5-trimethyl hexanoate
FR
ethyl heptanoate
FL/FR
farnesyl acetone
FL/FR
geranyl acetoacetate
FL/FR
methyl nonanoate
FL/FR
2-
pentanone
FL/FR
propyl heptanoate
FL/FR
sorbyl butyrate
FL/FR
green
benzaldehyde dimethyl acetal
FL/FR
green
cognac oil
FL/FR
heptanal (aldehyde C-7)
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
hexyl isobutyrate
FL/FR
hexyl phenyl acetate
FL/FR
herbal
iso
amyl tiglate
FL/FR
anthemis nobilis flower oil roman
FL/FR
clary sage concrete
FL/FR
white
cognac oil
FL/FR
ethyl chrysanthemate
FR
rosemary absolute
FL/FR
honey
methyl hydrocinnamate
FL/FR
roasted
2-
methyl-1-butanol
FL/FR
waxy
allyl nonanoate
FL/FR
iso
amyl laurate
FL/FR
ethyl nonanoate
FL/FR
ethyl octanoate
FL/FR
winey
butyl angelate
FL/FR
2-
hexanol
FL/FR
woody
cistus twig/leaf absolute
FR
woody acetate
FR
For Flavor
No flavor group found for these
amyl octanoate
FL/FR
iso
amyl tiglate
FL/FR
2-
amyl-5 or 6-keto-1,4-dioxane
FL
bornyl formate
FL/FR
butyl angelate
FL/FR
iso
butyraldehyde propylene glycol acetal
FL
diethyl laevo-tartrate
FL/FR
diethyl malate
FL/FR
ethyl aconitate
FL
farnesyl acetone
FL/FR
geranyl acetoacetate
FL/FR
2-
hexanol
FL/FR
methyl hydrocinnamate
FL/FR
2-
methyl-1-butanol
FL/FR
sorbyl propionate
FL
balsamic
balsamic
opoponax oil (balsamodendron kafal)
FL/FR
ethereal
iso
butyl alcohol
FL/FR
fatty
iso
amyl laurate
FL/FR
methyl decanoate
FL/FR
fruity
iso
amyl acetoacetate
FL/FR
iso
butyl acetoacetate
FL/FR
butyl anthranilate
FL/FR
butyl hexanoate
FL/FR
diethyl sebacate
FL/FR
dimethyl anthranilate
FL/FR
ethyl heptanoate
FL/FR
hexyl phenyl acetate
FL/FR
2-
pentanone
FL/FR
sorbyl butyrate
FL/FR
terpinyl cinnamate
FL/FR
fusel
white
cognac oil
FL/FR
green
cognac oil
FL/FR
green
benzaldehyde dimethyl acetal
FL/FR
heptanal (aldehyde C-7)
FL/FR
(Z)-3-
hexen-1-yl butyrate
FL/FR
(Z)-3-
hexen-1-yl salicylate
FL/FR
hexyl isobutyrate
FL/FR
herbal
anthemis nobilis flower oil roman
FL/FR
clary sage concrete
FL/FR
rosemary absolute
FL/FR
medicinal
frankincense absolute
FL/FR
musty
propionaldehyde
FL
waxy
allyl nonanoate
FL/FR
butyl undecylenate
FL/FR
ethyl nonanoate
FL/FR
ethyl octanoate
FL/FR
propyl heptanoate
FL/FR
whiskey
3-
methyl-1-pentanol
FL/FR
winey
methyl nonanoate
FL/FR
 
Potential Uses:
FRbalsam
FRherbal
FRnarcissus
FRwine
 
Occurrence (nature, food, other):note
 not found in nature
 
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
 

Articles:

 None found yet.
 
Notes:
2-Phenylethyl 3-methyl-2-butenoate is a food flavour.
Please share your Comments.
Email Address:
Top of Page Home
Copyright © 1980-2018 The Good Scents Company (tgsc) ™ Disclaimer Privacy Policy