berry pentadienoate
ethyl 2-methyl-3,4-pentadienoate
 
Notes:
Flavouring ingredient
  • Bedoukian Research
    • Bedoukian Research, Inc.
      Constantly Improving
      Working closely with our customers to meet their requirements.
      Paul Bedoukian founded the company to fill a niche as a supplier of high quality specialty aroma and flavor ingredients. In 1975 the company began manufacturing insect pheromones which are chemically similar to flavor and fragrance ingredients. Today, Bedoukian Research offers more than 450 Aroma Chemicals and 50 Insect Pheromones, while also providing custom manufacturing services to the pharmaceutical, agrochemical, and specialty chemical industries.
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      Product(s):
      510 ETHYL 2-METHYL-3,4-PENTADIENOATE ≥98.0%, Kosher
      SDS
      Fruity apple, drying down to a plum with strong pineapple notes. Useful in formulations to impart exotic tropical fruits effect.
      Strawberry, apple, and other fruits.
       
       
  • CTC Organics
    • CTC Organics
      For More Than 40 Year
      Your source for rare aroma chemicals for the flavor and fragrance industy.
      “The world is run by middle men.” The number of times I have heard Dr. Liu utter those words are innumerable. He loved reciting and recording famous quotes and had many of his own. Among his many talents, Dr. Liu had a unique genius in the area of chemistry. He had an uncanny understanding of the pulse of the chemical industry and was a superb salesman.
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      Product(s):
      W0574 ethyl 2-methyl-3,4-pentadienoate
       
  • Penta International
    • Penta International Corporation
      Chemistry innovation
      At Penta, our products and services help businesses do business better.
      For over 30 years, Penta Manufacturing Company has played a growing role in worldwide chemistry innovations and applications. As an industry leader, Penta continues to pioneer chemistry-based solutions for practically every area of commerce. Our products and expertise have helped fuel technical advances in dozens of commercial applications including flavoring, coloring, fragrances and chemical processes.
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      Product(s):
      05-52000 ETHYL-2-METHYL-3,4-PENTADIENOATE, Kosher
       
  • Taytonn
    • TAYTONN PTE LTD
      Supplying Asia Pacific
      We fully understand the demands of the F&F industry and we endeavour to supply quality products, with ready availability and a personalised service.
      Since 2001 TAYTONN has been distributing key ingredients to the Fragrance and Flavor industry in Asia. We work closely with customers, principals and vendors. Together we forecast demand and match it with supply of aroma chemicals, essential oils and natural isolates & extracts. Sourced from around the world, our F&F ingredient inventory in Singapore is ready to ship to any location in Asia and beyond. Time and again, we help our principals introduce new discoveries to the F&F market - stimulating creativity and bringing value added proposition to our customers.
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      Product(s):
      Ethyl 2-methyl-3,4-pentadienoate
       
Synonyms   Articles   Notes   Search
ethyl 2-methylpenta-3,4-dienoate (Click)
CAS Number: 60523-21-9Picture of molecule
ECHA EINECS - REACH Pre-Reg: 262-278-1
FDA UNII: ZBL6PWV9J9
Nikkaji Web: J65.564C
Beilstein Number: 1926000
XlogP3-AA: 1.40 (est)
Molecular Weight: 140.18204000
Formula: C8 H12 O2
NMR Predictor: Predict (works with chrome or firefox)
EFSA/JECFA Comments: (R) or (S) enantiomer not specified by Register CASrn.
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
IBM Patents: Obtain
Pubchem Patents: Search
JECFA Food Flavoring: 353  ethyl 2-methyl-3,4-pentadienoate
Flavis Number: 09.540 (Old)
DG SANTE Food Flavourings: 09.540  ethyl 2-methylpenta-3,4-dienoate
FEMA Number: 3678  ethyl 2-methyl-3,4-pentadienoate
FDA Mainterm: ETHYL 2-METHYL-3,4-PENTADIENOATE
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Physical Properties:
Appearance: colorless clear liquid (est)
Assay: 98.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 0.92200 to 0.92800 @  25.00 °C.
Pounds per Gallon - (est).: 7.672 to  7.722
Refractive Index: 1.44600 to 1.45200 @  20.00 °C.
Boiling Point: 65.00 °C. @ 18.00 mm Hg
Vapor Pressure: 1.319000 mm/Hg @ 25.00 °C. (est)
Flash Point: 110.00 °F. TCC ( 43.33 °C. )
logP (o/w): 1.833 (est)
Soluble in:
 alcohol
 water, 599.2 mg/L @ 25 °C (est)
Insoluble in:
 water
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Organoleptic Properties:
Odor Type: fruity
Odor Strength: medium ,
recommend smelling in a 10.00 % solution or less
 green  sweet  fruity  tutti frutti  tropical  rummy  strawberry  
Odor Description:
at 10.00 % in dipropylene glycol. 
green sweet fruity tutti frutti tropical rum strawberry
 green  sweet  fruity  tutti frutti  tropical  rummy  
Odor Description:
Green, sweet, fruity, tufti-frutti-Iike with tropical and rummy nuances
Mosciano, Gerard P&F 16, No. 5, 71, (1991)
 fruity  green  berry  juicy  
Taste Description:
at 15.00 ppm.  
Fruity, green, berry, punchy, with juicy nuances
Mosciano, Gerard P&F 16, No. 5, 71, (1991)
  
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Cosmetic Information:
None found
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Suppliers:
Bedoukian Research
ETHYL 2-METHYL-3,4-PENTADIENOATE
≥98.0%, Kosher
Odor: Fruity, delicious apple, drying down to a plum with strong tropical pineapple undertones
Use: Fruity apple, drying down to a plum with strong pineapple notes. Useful in formulations to impart exotic tropical fruits effect.
Flavor: Fresh strawberry, apple
Strawberry, apple, and other fruits.
Carbosynth
For experimental / research use only.
Ethyl 2-methylpenta-3,4-dienoate
CTC Organics
ethyl 2-methyl-3,4-pentadienoate
Penta International
ETHYL-2-METHYL-3,4-PENTADIENOATE, Kosher
Taytonn
Ethyl 2-methyl-3,4-pentadienoate
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Safety Information:
European information :
Most important hazard(s):
Xn - Harmful.
R 10 - Flammable.
R 22 - Harmful if swallowed.
S 02 - Keep out of the reach of children.
S 16 - Keep away from sources of ignition - No Smoking.
S 36/39 - Wear suitable clothing 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:
gavage-mouse LD50  [sex: M] 1316 mg/kg
(Babish, 1978c)

gavage-mouse LD50  [sex: F] 892 mg/kg
(Babish, 1978c)

gavage-mouse LD50  [sex: M/F] 770 mg/kg
(Moran et al., 1980)

oral-mouse LD50  770 mg/kg
Drug and Chemical Toxicology. Vol. 3, Pg. 249, 1980.

Dermal Toxicity:
Not determined
Inhalation Toxicity:
Not determined
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Safety in Use Information:
Category: flavor and fragrance agents
Recommendation for berry pentadienoate usage levels up to:
  4.0000 % in the fragrance concentrate.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.012 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 10.00 (μg/capita/day)
Modified Theoretical Added Maximum Daily Intake (mTAMDI): ND (μg/person/day)
Threshold of Concern:1800 (μg/person/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: 13
Click here to view publication 13
 average usual ppmaverage maximum ppm
baked goods: --
beverages(nonalcoholic): -1.00000
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: -5.00000
condiments / relishes: --
confectionery froastings: -2.00000
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: -2.00000
granulated sugar: --
gravies: --
hard candy: -2.00000
imitation dairy: -1.00000
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: -1.00000
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
Opinion of the Scientific Panel on Food Additives, Flavourings, Processing Aids and Materials in contact with Food (AFC) on a request from the Commission related to Flavouring Group Evaluation 5: Esters of 23 branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and 24 branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5
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
Flavouring Group Evaluation 5, Revision 1 (FGE.05Rev1):Esters of branched- and straight-chain aliphatic saturated primary alcohols and of one secondary alcohol, and branched- and straight-chain unsaturated carboxylic acids from chemical groups 1, 2, and 5 (Commission Regulation (EC) No 1565/2000 of 18 July 2000) [1] - 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 5, Revision 2 (FGE.05Rev2): Branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols from chemical groups 1, 2, 3 and 5
View page or View pdf
Flavouring Group Evaluation 62 Rev1 (FGE.62 Rev1): Consideration of of linear and branched-chain aliphatic unsaturated, unconjugated alcohols, aldehydes, acids, and related esters evaluated by JECFA (61st and 68th meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids and esters of these with aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010) and to straight- and branched-chain aliphatic unsaturated primary alcohols, aldehydes, carboxylic acids, and esters evaluated by EFSA in FGE.06Rev1 (2008)
View page or View pdf
EPI System: View
EPA Substance Registry Services (TSCA): 60523-21-9
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 62166
National Institute of Allergy and Infectious Diseases: Data
WISER: UN 1993
 ethyl 2-methylpenta-3,4-dienoate
Chemidplus: 0060523219
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References:
 ethyl 2-methylpenta-3,4-dienoate
NIST Chemistry WebBook: Search Inchi
Canada Domestic Sub. List: 60523-21-9
Pubchem (cid): 62166
Pubchem (sid): 135020539
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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): HMDB37196
FooDB: FDB016200
Export Tariff Code: 2916.19.6000
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
fatty
 allyl octanoateFL/FR
floral
beta-ocimeneFL/FR
 rose butanoateFL/FR
fruity
isobutyl propionateFL/FR
 ethyl isovalerateFL/FR
 methyl 2-methyl butyrateFL/FR
 propyl hexanoateFL/FR
minty
 ethyl salicylateFL/FR
sulfurous
 mango thiolFL/FR
tropical
2-tropical oxathianeFL/FR
waxy
 nonyl acetateFL/FR
 
For Flavor
 
No flavor group found for these
2-tropical oxathianeFL/FR
fatty
 allyl octanoateFL/FR
fruity
isobutyl propionateFL/FR
 ethyl isovalerateFL/FR
 methyl 2-methyl butyrateFL/FR
 propyl hexanoateFL/FR
 rose butanoateFL/FR
green
beta-ocimeneFL/FR
minty
 ethyl salicylateFL/FR
sulfurous
 mango thiolFL/FR
 methyl 2-(methyl thio) butyrateFL
waxy
 nonyl acetateFL/FR
 
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Potential Uses:
 appleFR
 apricotFR
 bananaFR
 berryFR
 guavaFR
 mangoFR
 passion fruitFR
 pearFR
 saffronFR
 strawberryFR
 valerianFL/FR
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Occurrence (nature, food, other): note
 not found in nature
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Synonyms:
 ethyl 2-methyl-3,4-pentadienoate
 ethyl 2-methylpenta-3,4-dienoate
 ethyl-2-methyl-3,4-pentadienoate
2-methyl-3,4-pentadienoic acid ethyl ester
2-methyl-3,4-pentadienoic acid, ethyl ester
3,4-pentadienoic acid, 2-methyl-, ethyl ester
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