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

General Material Information

Preferred name (E)-2,4-dimethyl-2-pentenoic acid
Trivial Name (2E)-2,4-dimethylpent-2-enoic acid
Formula C7 H12 O2
CAS Number 3876-52-6
FDA UNII KI18C46DHR
Nikkaji Number J1.331.269I
COE Number 744
xLogP3-AA 1.70 (est)
NMR Predictor External link
JECFA Food Flavoring 1211 2,4-dimethyl-2-pentenoic acid
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

US / EU / FDA / JECFA / FEMA / Scholar / Patents

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PhysChem Properties

Material listed in food chemical codex No
Molecular weight 128.1710357666
Specific gravity @ 25 °C
Pounds per Gallon 8.246 to 8.313
Refractive Index 1.459 to 1.467 @ 20 °C
Boiling Point 217 to 218°C @ 760 mm Hg
Boiling Point 133 to 134°C @ 15 mm Hg
Vapor Pressure 0.052 mmHg @ 25 °C
Flash Point TCC Value 123.7 °C TCC
logP (o/w) 2.233 est
Solubility
water, 2471 mg/L @ 25 °C (est) Yes

Organoleptic Properties

Odor Type: Sour
sour, cheesy, creamy
General comment 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
General comment Cheesy creamy

Occurrences

Potential Uses

Applications
Odor purposes Fruit
Flavoring purposes Bakery, Berry mixed berry, Cheese, Chocolate, Dairy, Tropical

Safety Information

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)
Threshold of Concern:1800 (μg/person/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
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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
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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
Cancer Citations:Search
Toxicology Citations:Search
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