2,4-dimethyl-2-pentenoic acid

flavoring agents

2D:
3D:
CAS Number:	66634-97-7
FDA UNII:	YSD821326P
CoE Number:	744
Category:	flavoring agents
IUPAC Name:	2,4-dimethyl-2-pentenoic acid
InChI :	InChI=1/C7H12O2/c1-5(2)4-6(3)7(8)9/h4-5H,1-3H3,(H,8,9)
Std.InChI:	InChI=1S/C7H12O2/c1-5(2)4-6(3)7(8)9/h4-5H,1-3H3,(H,8,9)
InChIKey :	DMHLGGQHOSTMJG-UHFFFAOYAZ
Std.InChIKey:	DMHLGGQHOSTMJG-UHFFFAOYSA-N
SMILES :	CC(C)C=C(C)C(O)=O
MDL:	MFCD00209505
Molar Refractivity :	35.90 ± 0.3 cm3 (est)
Parachor :	313.2 ± 4.0 cm3 (est)
Index of Refraction :	1.454 ± 0.02 (est)
Surface Tension :	31.2 ± 3.0 dyne/cm (est)
Density :	0.967 ± 0.06 g/cm3 (est)
Polarizability :	14.23 ± 0.5 10-24cm3 (est)

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
PubMed:	Search
NCBI:	Search
JECFA Food Flavoring:	1211 2,4-dimethyl-2-pentenoic acid
FEMA Number:	3143 2,4-dimethyl-2-pentenoic acid
FDA:	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm (SATF):	66634-97-7 ; 2,4-DIMETHYL-2-PENTENOIC ACID

Physical Properties:

Appearance:	colorless clear liquid (est)
Assay:	92.00 to 100.00 sum of isomers
Food Chemicals Codex Listed:	No
Boiling Point:	133.00 to 134.00 °C. @ 15.00 mm Hg
Vapor Pressure:	0.052000 mmHg @ 25.00 °C. (est)
Flash Point:	254.00 °F. TCC ( 123.33 °C. )
logP (o/w):	1.940 (est)
Soluble in:
	alcohol
	water, very slightly
	water, 2471 mg/L @ 25 °C (est)
Insoluble in:
	water

Organoleptic Properties:

acidic fruity cheesy honey tart acidic fruity sweaty cheesy honey floral animal tart acidic cheesy ripe fruity animal

Cosmetic Information:

None found

Suppliers:

Augustus Oils

2,4 Dimethyl 2 Pentenoic Acid

Services

BOC Sciences

For experimental / research use only.

2,4-Dimethyl-2-pentenoic Acid

Parchem

2,4-dimethyl-2-pentenoic acid

Penta International

2,4-DIMETHYL-2-PENTENOIC ACID

R C Treatt & Co Ltd

2,4-Dimethyl-2-pentenoic acid

Halal, Kosher

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.

Sigma-Aldrich: Aldrich

For experimental / research use only.

2,4-Dimethyl-2-pentenoic Acid

sds

Synerzine

2,4-Dimethyl-2-Pentenoic Acid

Synerzine

2,4-DIMETHYL-2-PENTENOIC ACID

Safety Information:

Preferred SDS: View

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 2,4-dimethyl-2-pentenoic acid usage levels up to:
	not for fragrance use.

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: 4
Click here to view publication 4
		average usual ppm	average maximum ppm
baked goods:		-	1.50000
beverages(nonalcoholic):		-	-
beverages(alcoholic):		-	-
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		-	-
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		-	-
fruit ices:		-	-
gelatins / puddings:		-	-
granulated sugar:		-	-
gravies:		-	-
hard candy:		-	1.00000
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:

EPI System: View

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

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

2,4-dimethylpent-2-enoic acid

Chemidplus:0066634977

References:

	2,4-dimethylpent-2-enoic acid
NIST Chemistry WebBook:	Search Inchi
Canada Domestic Sub. List:	66634-97-7
Pubchem (cid):	5362565
Pubchem (sid):	135267816

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
FDA Substances Added to Food (formerly EAFUS):	View
HMDB (The Human Metabolome Database):	HMDB39819
FooDB:	FDB019470
Export Tariff Code:	2916.19.9590
ChemSpider:	View