2-methyl valeraldehyde

2-methyl valeraldehyde, also known as (99)-2-methylpentanal or 2-methylpentaldehyde, is a six-carbon aliphatic aldehyde with the molecular formula C₆H₁₂O. It appears as a clear liquid and is characterized by ethereal, fruity, and green odor notes. The compound is part of a group of volatile aldehydes commonly used in flavor and fragrance formulation. Its synonyms include alpha-methylpentanal and 2-formylpentane. This aldehyde occurs naturally in various foods such as cooked beef, coffee, and bread and contributes to their aroma profiles. Structurally, it is linked to PubChem CID 31245. Commercially, it is synthetically produced for use as a flavoring and fragrance ingredient.

2-methyl valeraldehyde is naturally found in a variety of cooked and processed foods, including cooked beef, pork, wheat bread, coffee, beer, and black tea. It contributes to the characteristic green, fruity, and ethereal notes in these complex food aromas. This compound is widely used as a flavor and fragrance agent, particularly to impart fruity, grape-like, and coffee nuances in formulations. Its use as a flavor additive is regulated under FEMA (US) with FEMA number 3413, where it is listed as generally recognized as safe (GRAS) for specified concentration limits. Its applications extend to flavoring beverages, baked goods, and other consumables requiring subtle green or fruity aroma components.

2-methyl valeraldehyde is a volatile liquid with a molecular weight of approximately 100.16 g/mol and a moderate log P value estimated at around 1.7, indicating moderate lipophilicity. It exhibits a boiling point range near 119 to 120 B0C at atmospheric pressure, combined with vapor pressure of approximately 17 mmHg at 25 B0C, which suggests appreciable volatility relevant for aroma delivery in formulations. Its refractive index at 20 B0C ranges between 1.398 and 1.402, and specific gravity falls between 0.808 to 0.812 at the same temperature. 2-methyl valeraldehyde is soluble in alcohols and slightly soluble in water (estimated 3930 mg/L at 25 B0C), which influences its incorporation in different matrix types. The flash point is about 62 B0C measured by tag closed cup, indicating flammability precautions during handling and storage.

(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
CHEMBL:	View
HMDB (The Human Metabolome Database):	HMDB31578
FooDB:	FDB008201
Export Tariff Code:	2912.19.5000
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View

Safety information

Preferred SDS: View
European information :
Most important hazard(s):
Xi N - Irritant, Dangerous for the environment.
R 11 - Highly flammable. R 36/37/38 - Irritating to eyes, respiratory system, and skin. R 52/53 - Harmful to qauatic organisms, may cause long-term adverse effects in the aquatic environment. S 02 - Keep out of the reach of children. S 16 - Keep away from sources of ignition - No Smoking. 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. S 61 - Avoid release to the environment. Refer to special instructions/safety data sheet.
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-mouse LD50 > 3200 mg/kg Kodak Company Reports. Vol. 21MAY1971 oral-rat LD50 > 3200 mg/kg Kodak Company Reports. Vol. 21MAY1971
Dermal Toxicity:
Not determined
Inhalation Toxicity:
inhalation-rat LC > 1500 ppm/6H Kodak Company Reports. Vol. 21MAY1971

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 valeraldehyde usage levels up to:
	0.1000 % in the fragrance concentrate.
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: 7
Click here to view publication 7
		average usual ppm	average maximum ppm
baked goods:		-	2.00000
beverages(nonalcoholic):		-	2.00000
beverages(alcoholic):		-	-
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		-	2.00000
condiments / relishes:		-	-
confectionery froastings:		-	-
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		-	2.00000
fruit ices:		-	2.00000
gelatins / puddings:		-	2.00000
granulated sugar:		-	-
gravies:		-	-
hard candy:		-	2.00000
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 Substance Registry Services (TSCA):123-15-9

EPA ACToR:Toxicology Data

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :31245

National Institute of Allergy and Infectious Diseases:Data

WISER:UN 2367

WGK Germany:1

2-methylpentanal

Chemidplus:0000123159

EPA/NOAA CAMEO:hazardous materials

RTECS:RZ6905000 for cas# 123-15-9