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2-methyl-2-pentenoic acid

Chemical Structure

General Material Information

Preferred name 2-methyl-2-pentenoic acid
Trivial Name 2-Methyl-2-pentenoic acid
Short Description strawberiff (IFF)
Formula C6 H10 O2
CAS Number 3142-72-1
FEMA Number 3195
Flavis Number 8.055
ECHA Number 221-552-0
FDA UNII Search
MDL MFCD00002655
COE Number 11680
xLogP3-AA 1.40 (est)
NMR Predictor External link
JECFA Food Flavoring 1210 2-methyl-2-pentenoic acid
FDA Patent No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm 3142-72-1 ; 2-METHYL-2-PENTENOIC ACID
Synonyms
  • 2 methyl 2 pentenoic acid (extra)
  • 2-methyl 2-pentenoic acid
  • 2-methyl pent-2-enoic acid
  • 2-methyl-2-butyric acid
  • 2-methyl-2-pentenoic acid BRI
  • 2-methyl-2-pentenoic acid natural
  • 2-methyl-2-pentenoic acid synthetic
  • 2-methyl-2-pentenoic acid, natural
  • 2-methylpent-2-en-1-oic acid
  • 2-methylpent-2-enoic acid
  • 2-methylpent-2-enoic acid
  • 2-pentenoic acid, 2-methyl-
  • 2-Pentenoic acid, 2-methyl-
  • pent-2-enoic acid, 2-methyl-
  • strawberiff (IFF)
  • strawberriff (IFF)
  • strawberry acid
  • vertofraise (A.C.S. International)

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

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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
FDA Substances Added to Food (formerly EAFUS):View
HMDB (The Human Metabolome Database):HMDB31560
FooDB:FDB008175
Export Tariff Code:2916.19.3000
VCF-Online:VCF Volatile Compounds in Food
ChemSpider:View

PhysChem Properties

Material listed in food chemical codex Yes
Molecular weight 114.14409637451
Specific gravity @ 25 °C
Pounds per Gallon 8.138 to 8.205
Specific gravity @ 20 °C
Pounds per Gallon 8.156 to 8.222
Refractive Index 1.457 to 1.462 @ 20 °C
Melting Point 24 to 26°C @ 760 mm Hg
Boiling Point 123 to 125°C @ 30 mm Hg
Vapor Pressure 0.055 mmHg @ 25 °C
Vapor Density 1
Flash Point TCC Value 107.78 °C TCC
logP (o/w) 1.586 est
Shelf life 12 months (or longer if stored properly.)
Storage notes Refrigerate in tightly sealed containers.
Solubility
alcohol Yes
dipropylene glycol Yes
water, slightly Yes
water, 6330 mg/L @ 25 °C (est) Yes
water No
Stability
alcoholic lotion Unspecified
antiperspirant Unspecified
deo stick Unspecified
fabric softener Unspecified
shampoo Unspecified

Organoleptic Properties

Odor Type: Acidic
dry, acidic, sweaty, strawberry, woody, fruity, jammy, sour
Odor strength medium , recommend smelling in a 10.00 % solution or less
Substantivity 380 hour(s) at 100.00 %
Luebke, William tgsc, (1995) At 10.00 % in dipropylene glycol. dry acid sweaty strawberry woody fruity jam
Mosciano, Gerard P&F 23, No. 1, 33, (1998) Sour, acidic, sweaty and fruity with a jammy, woody nuance
Flavor Type: Sour
sour, acidic, sweaty, berry, fruity
Mosciano, Gerard P&F 23, No. 1, 33, (1998) At 50.00 ppm. Sour, acidic, sweaty, berry- and fruit-like
Strawberry and other berries, apple and other fruit, as well as cheese flavors. Sharp, acidic, slightly cheesy, with jammy strawberry back notes
General comment Fruity, geranium, mango, strawberry jam

Occurrences

Potential Uses

Applications
Odor purposes Fruit, Raspberry, Strawberry
Flavoring purposes Cheese, Tropical
Cosmetic purposes Perfuming agents

Safety Information

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
C - Corrosive.
R 34 - Causes burns.
R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 37/39 - Wear suitable gloves 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:
oral-rat LD50 5000 mg/kg

Dermal Toxicity:
skin-rabbit LD50 5000 mg/kg

Inhalation Toxicity:
Not determined

Safety in use information

Category:
flavor and fragrance agents
RIFM Fragrance Material Safety Assessment: Search
IFRA Code of Practice Notification of the 49th Amendment to the IFRA Code of Practice
Recommendation for 2-methyl-2-pentenoic acid usage levels up to:
1.0000 % in the fragrance concentrate.
Maximised Survey-derived Daily Intakes (MSDI-EU): 36.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA): 20.00 (μg/capita/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: 4
Click here to view publication 4
average usual ppmaverage maximum ppm
baked goods: -1.00000
beverages(nonalcoholic): --
beverages(alcoholic): --
breakfast cereal: --
cheese: --
chewing gum: --
condiments / relishes: -1.00000
confectionery froastings: --
egg products: --
fats / oils: --
fish products: --
frozen dairy: --
fruit ices: --
gelatins / puddings: --
granulated sugar: --
gravies: -1.00000
hard candy: -1.00000
imitation dairy: --
instant coffee / tea: --
jams / jellies: --
meat products: -1.00000
milk products: --
nut products: --
other grains: --
poultry: --
processed fruits: --
processed vegetables: --
reconstituted vegetables: --
seasonings / flavors: --
snack foods: --
soft candy: --
soups: -1.00000
sugar substitutes: --
sweet sauces: --

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):

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

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

Safety and efficacy of a,ß-unsaturated straight-chain and branched-chain aliphatic primary alcohols, aldehydes, acids and esters belonging to chemical group 3 when used as flavourings for all animal species
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
View page or View pdf

EPI System: View
AIDS Citations:Search
Cancer Citations:Search
Toxicology Citations:Search
EPA Substance Registry Services (TSCA):3142-72-1
EPA ACToR:Toxicology Data
EPA Substance Registry Services (SRS):Registry
Laboratory Chemical Safety Summary :18458
National Institute of Allergy and Infectious Diseases:Data
WISER:UN 3261
WGK Germany:2
2-methylpent-2-enoic acid
Chemidplus:0003142721