(E)-2,4-dimethyl-2-pentenoic acid
(2E)-2,4-dimethylpent-2-enoic acid
 
Notes:
Flavouring ingredient
  • R C Treatt & Co Ltd
    • R C Treatt and Co Ltd
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      Product(s):
      2,4-Dimethyl-2-pentenoic acid

      Used in cheese flavours , at 20ppm in bakery, at 10ppm in frozen dairy and desserts, and at 5ppm in non-alcoholic beverages.
       
       
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CAS Number: 3876-52-6Picture of molecule3D/inchi
FDA UNII: KI18C46DHR
Nikkaji Web: J1.331.269I
CoE Number: 744
XlogP3-AA: 1.70 (est)
Molecular Weight: 128.17104000
Formula: C7 H12 O2
NMR Predictor: Predict (works with chrome or firefox)
Also(can) Contains: 4-methyl-2-methylene valeric acid
EFSA/JECFA Comments: Registername to be changed to (2E)-4-Dimethylpent-2-enoic acid. According to JECFA: Min. assay value is "92 (sum of isomers)" and secondary components "4-methyl-2-methylenevaleric acid". (E)-isomer (92 %), other const. 4-methyl-2-methylenevaleric acid (EFFA, 2010). Register name to be changed to (2E),4-Dimethylpent-2-enoic acid. According to JECFA: Min. Assay value ”92 (sum of isomers)” and secondary components ”4-methyl-2-methylenevaleric acid”.
Category: flavoring agents
 
US / EU / FDA / JECFA / FEMA / FLAVIS / Scholar / Patent Information:
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JECFA Food Flavoring: 1211  2,4-dimethyl-2-pentenoic acid
DG SANTE Food Flavourings: 08.044  (2E)-2,4-dimethylpent-2-enoic acid
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Physical Properties:
Appearance: colorless to pale yellow clear liquid (est)
Assay: 92.00 to 100.00 % sum of isomers
Food Chemicals Codex Listed: No
Specific Gravity: 0.99100 to 0.99900 @  25.00 °C.
Pounds per Gallon - (est).: 8.246 to  8.313
Refractive Index: 1.45900 to 1.46700 @  20.00 °C.
Boiling Point: 217.00 to  218.00 °C. @ 760.00 mm Hg (est)
Boiling Point: 133.00 to  134.00 °C. @ 15.00 mm Hg
Vapor Pressure: 0.052000 mmHg @ 25.00 °C. (est)
Flash Point: 255.00 °F. TCC ( 123.70 °C. ) (est)
logP (o/w): 2.233 (est)
Soluble in:
 water, 2471 mg/L @ 25 °C (est)
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Organoleptic Properties:
 
Odor Type: sour
 
 sour  cheesy  creamy  
Odor Description:
Used in cheese flavours , at 20ppm in bakery, at 10ppm in frozen dairy and desserts, and at 5ppm in non-alcoholic beverages.
sour cheese cream cheese
 
 
Flavor Type: cheesy
 
 cheesy  creamy  
Taste Description:
cheesy creamy
 
Odor and/or flavor descriptions from others (if found).
 
 
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Cosmetic Information:
None found
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Suppliers:
R C Treatt & Co Ltd
2,4-Dimethyl-2-pentenoic acid
Odor: sour cheese, cream cheese
Flavor: cheese
Used in cheese flavours , at 20ppm in bakery, at 10ppm in frozen dairy and desserts, and at 5ppm in non-alcoholic beverages.
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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: flavoring agents
Recommendation for (E)-2,4-dimethyl-2-pentenoic acid usage levels up to:
 not for fragrance use.
 
Maximised Survey-derived Daily Intakes (MSDI-EU): 0.12 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 0.10 (μg/capita/day)
Threshold of Concern:1800 (μg/person/day)
Structure Class: I
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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) 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
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Flavouring Group Evaluation 72 (FGE.72): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids. Esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2 (2010)
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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
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Scientific Opinion on Flavouring Group Evaluation 72, Revision 1 (FGE.72Rev1): Consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids, and related esters evaluated by the JECFA (61st meeting) structurally related to branched- and straight-chain unsaturated carboxylic acids, esters of these and straight-chain aliphatic saturated alcohols evaluated by EFSA in FGE.05Rev2
View page or View pdf
Scientific Opinion on Flavouring Group Evaluation 72, Revision 2 (FGE.72Rev2): consideration of aliphatic, branched-chain saturated and unsaturated alcohols, aldehydes, acids and related esters evaluated by JECFA (61st, 68th and 69th meetings) and structurally related to flavouring substances in FGE.05Rev3
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EPI System: View
AIDS Citations: Search
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EPA Substance Registry Services (TSCA): 3876-52-6
EPA ACToR: Toxicology Data
EPA Substance Registry Services (SRS): Registry
Laboratory Chemical Safety Summary : 5362565
National Institute of Allergy and Infectious Diseases: Data
WGK Germany: 2
 (2E)-2,4-dimethylpent-2-enoic acid
Chemidplus: 0003876526
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References:
 (2E)-2,4-dimethylpent-2-enoic acid
NIST Chemistry WebBook: Search Inchi
Pubchem (cid): 5362565
Pubchem (sid): 135267816
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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): HMDB39819
FooDB: FDB019470
VCF-Online: VCF Volatile Compounds in Food
ChemSpider: View
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Potential Blenders and core components note
 
For Odor
acidic
acidic
isobutyric acidFL/FR
 cyclohexyl acetic acidFL/FR
2-ethyl butyric acidFL/FR
2-methyl butyric acidFL/FR
2-methyl-2-pentenoic acidFL/FR
buttery
 acetyl propionylFL/FR
 butyl butyryl lactateFL/FR
2,3-heptane dioneFL/FR
cheesy
 butyric acidFL/FR
 heptanoic acidFL/FR
2-methyl hexanoic acidFL/FR
S-(methyl thio) butyrateFL/FR
2-methyl valeric acidFL/FR
isovaleric acidFL/FR
 valeric acidFL/FR
chocolate
 cocoa pentenalFL/FR
 hexanoic acidFL/FR
 ethyl phenyl acetateFL/FR
 hyacinth acetalsFL/FR
 neryl isovalerateFL/FR
 phenethyl benzoateFL/FR
 phenethyl hexanoateFL/FR
3-phenyl propyl formateFL/FR
isopropyl phenyl acetateFL/FR
 rhodinyl phenyl acetateFL/FR
fruity
 cyclohexyl carboxylic acidFL/FR
 filbert hexenoneFL/FR
4-heptanoneFL/FR
 methyl 4-methyl valerateFL/FR
2-methyl butyl isovalerateFL/FR
 prenyl hexanoateFL/FR
 propyl butyrateFL/FR
 sorbyl butyrateFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 strawberry glycidate 2FL/FR
2-undecanoneFL/FR
3-heptanoneFL/FR
 hexanal (aldehyde C-6)FL/FR
(E)-2-hexenalFL/FR
honey
 methyl phenyl acetateFL/FR
 phenyl acetic acidFL/FR
 propyl phenyl acetateFL/FR
medicinal
meta-dimethyl hydroquinoneFL/FR
musty
 cocoa butenalFL/FR
nutty
 nutty quinoxalineFL/FR
spicy
 cumin seed oilFL/FR
isoeugenyl phenyl acetateFL/FR
(±)-1,2,5,6-tetrahydrocuminic acidFL/FR
 methyl mercaptanFL/FR
waxy
isoamyl decanoateFL/FR
9-decenoic acidFL/FR
2-methyl heptanoic acidFL/FR
 myristic acidFL/FR
 nonanoic acidFL/FR
2-nonanolFL/FR
 undecanoic acidFL/FR
woody
 santalyl phenyl acetateFL/FR
 
For Flavor
 
No flavor group found for these
1-acetyl cyclohexyl acetateFL
 ethyl cyclohexyl carboxylateFL
(E,E)-2,4-heptadien-1-olFL
(Z)-3-hexenoic acidFL
3-mercapto-3-methyl butyl formateFL
5-methyl hexanoic acidFL
4-methyl valeric acidFL
3-phenyl propyl formateFL/FR
 prenyl hexanoateFL/FR
 santalyl phenyl acetateFL/FR
(±)-1,2,5,6-tetrahydrocuminic acidFL/FR
acidic
isobutyric acidFL/FR
2-ethyl butyric acidFL/FR
 valeric acidFL/FR
aromatic
 hyacinth acetalsFL/FR
buttery
2,3-heptane dioneFL/FR
2-methyl valeric acidFL/FR
(E)-2-pentenoic acidFL
cheesy
 cheese flavorFL
 hexanoic acidFL/FR
isovaleric acidFL/FR
chemical
meta-dimethyl hydroquinoneFL/FR
creamy
 acetoin butyrateFL
 butyl butyryl lactateFL/FR
cream cheese flavorFL
2-methyl-4-pentenoic acidFL
dairy
 dairy flavorFL
4-pentenoic acidFL
fatty
 nonanoic acidFL/FR
(E)-2-octenoic acidFL
fermented
 methyl thio isovalerateFL
floral
 cocoa pentenalFL/FR
 methyl phenyl acetateFL/FR
 phenethyl benzoateFL/FR
 phenyl acetic acidFL/FR
fruity
 cyclohexyl carboxylic acidFL/FR
 ethyl 3-oxohexanoateFL
 filbert hexenoneFL/FR
4-heptanoneFL/FR
 methyl 4-methyl valerateFL/FR
2-methyl butyl isovalerateFL/FR
2-methyl butyric acidFL/FR
 neryl isovalerateFL/FR
 propyl butyrateFL/FR
 sorbyl butyrateFL/FR
 strawberry glycidate 1 (aldehyde C-16 (so-called))FL/FR
 strawberry glycidate 2FL/FR
green
 cocoa butenalFL/FR
 hexanal (aldehyde C-6)FL/FR
(E)-2-hexenalFL/FR
honey
 ethyl phenyl acetateFL/FR
isopropyl phenyl acetateFL/FR
 propyl phenyl acetateFL/FR
ketonic
3-heptanoneFL/FR
meaty
2-methyl 3-(methyl thio) furanFL
12-methyl tridecanalFL
musty
S-(methyl thio) butyrateFL/FR
nutty
 nutty quinoxalineFL/FR
oily
2-methyl hexanoic acidFL/FR
sour
 butyric acidFL/FR
3-methyl valeric acidFL
2-methyl-2-pentenoic acidFL/FR
spicy
 cumin seed oilFL/FR
isoeugenyl phenyl acetateFL/FR
sulfurous
 methyl 4-(methyl thio) butyrateFL
 methyl mercaptanFL/FR
sweet
 cyclohexyl acetic acidFL/FR
toasted
 acetyl propionylFL/FR
tropical
S-methyl 4-methyl pentane thioateFL
waxy
isoamyl decanoateFL/FR
9-decenoic acidFL/FR
 heptanoic acidFL/FR
2-methyl heptanoic acidFL/FR
 myristic acidFL/FR
2-nonanolFL/FR
 phenethyl hexanoateFL/FR
 rhodinyl phenyl acetateFL/FR
 undecanoic acidFL/FR
2-undecanoneFL/FR
 
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Potential Uses:
 bakeryFL
 berry mixed berryFL
 cheeseFL
 chocolateFL
 dairyFL
 fruitFR
 tropicalFL
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Occurrence (nature, food, other): note
 found in nature
PbMd 
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Synonyms:
(E)-2,4-dimethyl pent-2-enoic acid
trans-2,4-dimethyl pent-2-enoic acid
trans-2,4-dimethyl-2-pentenoic acid
(2E)-2,4-dimethylpent-2-enoic acid
trans-2,4-dimethylpent-2-enoic acid
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