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

(E)-2,4-dimethyl-2-pentenoic acid
(2E)-2,4-dimethylpent-2-enoic acid

Supplier Sponsors

Name:(2E)-2,4-dimethylpent-2-enoic acid
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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Pubchem Patents:Search
JECFA Food Flavoring:1211 2,4-dimethyl-2-pentenoic acid
FLAVIS Number:08.044 (Old)
DG SANTE Food Flavourings:08.044 (2E)-2,4-dimethylpent-2-enoic acid
 
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 mm/Hg @ 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)
 
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).
 
Cosmetic Information:
None found
 
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.
 
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: 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)
Structure Class: I
 
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
View page or View pdf

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)
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

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

EPI System: View
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
 
References:
 (2E)-2,4-dimethylpent-2-enoic acid
NIST Chemistry WebBook:Search Inchi
Pubchem (cid):5362565
Pubchem (sid):135267816
 
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
HMDB (The Human Metabolome Database):HMDB39819
FooDB:FDB019470
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View
 
Potential Blenders and core components note
For Odor
acidic
iso
butyric acid
FL/FR
cyclohexyl acetic acid
FL/FR
2-
ethyl butyric acid
FL/FR
2-
methyl butyric acid
FL/FR
2-
methyl-2-pentenoic acid
FL/FR
buttery
acetyl propionyl
FL/FR
butyl butyryl lactate
FL/FR
2,3-
heptane dione
FL/FR
cheesy
butyric acid
FL/FR
heptanoic acid
FL/FR
2-
methyl hexanoic acid
FL/FR
S-(
methyl thio) butyrate
FL/FR
2-
methyl valeric acid
FL/FR
valeric acid
FL/FR
iso
valeric acid
FL/FR
chocolate
cocoa pentenal
FL/FR
fatty
hexanoic acid
FL/FR
floral
ethyl phenyl acetate
FL/FR
hyacinth acetals
FL/FR
neryl isovalerate
FL/FR
phenethyl benzoate
FL/FR
phenethyl hexanoate
FL/FR
3-
phenyl propyl formate
FL/FR
iso
propyl phenyl acetate
FL/FR
rhodinyl phenyl acetate
FL/FR
fruity
cyclohexyl carboxylic acid
FL/FR
filbert hexenone
FL/FR
4-
heptanone
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl butyl isovalerate
FL/FR
prenyl hexanoate
FL/FR
propyl butyrate
FL/FR
sorbyl butyrate
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
strawberry glycidate 2
FL/FR
2-
undecanone
FL/FR
green
3-
heptanone
FL/FR
hexanal (aldehyde C-6)
FL/FR
(E)-2-
hexenal
FL/FR
honey
methyl phenyl acetate
FL/FR
phenyl acetic acid
FL/FR
propyl phenyl acetate
FL/FR
medicinal
meta-
dimethyl hydroquinone
FL/FR
musty
cocoa butenal
FL/FR
nutty
nutty quinoxaline
FL/FR
spicy
cumin seed oil
FL/FR
iso
eugenyl phenyl acetate
FL/FR
(±)-1,2,5,6-
tetrahydrocuminic acid
FL/FR
sulfurous
methyl mercaptan
FL/FR
waxy
iso
amyl decanoate
FL/FR
9-
decenoic acid
FL/FR
2-
methyl heptanoic acid
FL/FR
myristic acid
FL/FR
nonanoic acid
FL/FR
2-
nonanol
FL/FR
undecanoic acid
FL/FR
woody
santalyl phenyl acetate
FL/FR
For Flavor
No flavor group found for these
1-
acetyl cyclohexyl acetate
FL
ethyl cyclohexyl carboxylate
FL
(E,E)-2,4-
heptadien-1-ol
FL
(Z)-3-
hexenoic acid
FL
3-
mercapto-3-methyl butyl formate
FL
5-
methyl hexanoic acid
FL
4-
methyl valeric acid
FL
3-
phenyl propyl formate
FL/FR
prenyl hexanoate
FL/FR
santalyl phenyl acetate
FL/FR
(±)-1,2,5,6-
tetrahydrocuminic acid
FL/FR
acidic
acidic
iso
butyric acid
FL/FR
2-
ethyl butyric acid
FL/FR
valeric acid
FL/FR
aromatic
hyacinth acetals
FL/FR
buttery
2,3-
heptane dione
FL/FR
2-
methyl valeric acid
FL/FR
(E)-2-
pentenoic acid
FL
cheesy
cheese flavor
FL
hexanoic acid
FL/FR
iso
valeric acid
FL/FR
chemical
meta-
dimethyl hydroquinone
FL/FR
creamy
acetoin butyrate
FL
butyl butyryl lactate
FL/FR
cream
cheese flavor
FL
2-
methyl-4-pentenoic acid
FL
dairy
dairy flavor
FL
4-
pentenoic acid
FL
fatty
nonanoic acid
FL/FR
(E)-2-
octenoic acid
FL
fermented
methyl thio isovalerate
FL
floral
cocoa pentenal
FL/FR
methyl phenyl acetate
FL/FR
phenethyl benzoate
FL/FR
phenyl acetic acid
FL/FR
fruity
cyclohexyl carboxylic acid
FL/FR
ethyl 3-oxohexanoate
FL
filbert hexenone
FL/FR
4-
heptanone
FL/FR
methyl 4-methyl valerate
FL/FR
2-
methyl butyl isovalerate
FL/FR
2-
methyl butyric acid
FL/FR
neryl isovalerate
FL/FR
propyl butyrate
FL/FR
sorbyl butyrate
FL/FR
strawberry glycidate 1 (aldehyde C-16 (so-called))
FL/FR
strawberry glycidate 2
FL/FR
green
cocoa butenal
FL/FR
hexanal (aldehyde C-6)
FL/FR
(E)-2-
hexenal
FL/FR
honey
ethyl phenyl acetate
FL/FR
propyl phenyl acetate
FL/FR
iso
propyl phenyl acetate
FL/FR
ketonic
3-
heptanone
FL/FR
meaty
2-
methyl 3-(methyl thio) furan
FL
12-
methyl tridecanal
FL
musty
S-(
methyl thio) butyrate
FL/FR
nutty
nutty quinoxaline
FL/FR
oily
2-
methyl hexanoic acid
FL/FR
sour
butyric acid
FL/FR
3-
methyl valeric acid
FL
2-
methyl-2-pentenoic acid
FL/FR
spicy
cumin seed oil
FL/FR
iso
eugenyl phenyl acetate
FL/FR
sulfurous
methyl 4-(methyl thio) butyrate
FL
methyl mercaptan
FL/FR
sweet
cyclohexyl acetic acid
FL/FR
toasted
acetyl propionyl
FL/FR
tropical
S-
methyl 4-methyl pentane thioate
FL
waxy
iso
amyl decanoate
FL/FR
9-
decenoic acid
FL/FR
heptanoic acid
FL/FR
2-
methyl heptanoic acid
FL/FR
myristic acid
FL/FR
2-
nonanol
FL/FR
phenethyl hexanoate
FL/FR
rhodinyl phenyl acetate
FL/FR
undecanoic acid
FL/FR
2-
undecanone
FL/FR
 
Potential Uses:
FLbakery
FLberry mixed berry
FLcheese
FLchocolate
FLdairy
 fruit
FLtropical
 
Occurrence (nature, food, other):note
 found in nature
PbMd
 
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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Notes:
Flavouring ingredient
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