3-methyl valeric acid

General Material Information

Preferred name	3-methyl valeric acid
Trivial Name	3-Methylpentanoic acid
Short Description	3-methylvaleric acid
Formula	C6 H12 O2
CAS Number	105-43-1
FEMA Number	3437
Flavis Number	8.056
ECHA Number	203-297-7
FDA UNII	85FS4Y39LJ
Nikkaji Number	J95.910C
Beilstein Number	1720696
MDL	MFCD00002729
COE Number	10149
xLogP3-AA	1.60 (est)
NMR Predictor	External link
JECFA Food Flavoring	262 3-methylpentanoic acid
FDA Patent	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm	105-43-1 ; 3-METHYLPENTANOIC ACID
Synonyms	acetoacetic methyl ester sec- butyl acetic acid butylacetic acid, sec- 2-methyl butane-1-carboxylic acid 3-methyl pentanoic acid beta- methyl valeric acid 3 methyl valeric acid (pentanoic acid) 3-methyl valeric acid natural 3-methyl-pentanoic acid 2-methylbutane-1-carboxylic acid 3-methylpentanoic acid (±)-3-methylvaleric acid 3-methylvaleric acid DL-3-methylvaleric acid DL-3-methylvalericacid parmesan acid pentanoic acid, 3-methyl- valeric acid, 3-methyl- Valeric acid, β-methyl- 3-Methylpentanoic acid β-Methylvaleric acid 3-Methylvaleric acid 3-Methyl-n-valeric acid

(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):	HMDB33774
FooDB:	FDB011927
Export Tariff Code:	2915.90.1800
VCF-Online:	VCF Volatile Compounds in Food
ChemSpider:	View
Wikipedia:	View

Apple Flavor & Fragrance	Bedoukian Research
Beijing Lys Chemicals	BOC Sciences
Citrus and Allied Essences	EMD Millipore
Frinton Laboratories	Kingchem Laboratories
Lluch Essence	Natural Advantage
Penta International	Reincke & Fichtner
Riverside Aromatics	Seqens
Shanghai Vigen Fine Chemical	Sigma-Aldrich
Synerzine	TCI AMERICA
Tianjin Danjun International	WholeChem
Bedoukian Research, Inc.	Beijing Lys Chemicals Co, LTD.
Lluch Essence S.L.	Penta International Corporation
Riverside Aromatics Ltd.	Synerzine, Inc.
Tianjin Danjun International Trade Co., LTD.	WholeChem, LLC

Material listed in food chemical codex	No
Molecular weight	116.16004180908
Specific gravity	@ 25 °C
Pounds per Gallon	7.273 to 8.071
Refractive Index	1.365 to 1.456 @ 20 °C
Boiling Point	196 to 198°C @ 760 mm Hg
Vapor Pressure	0.147 mmHg @ 25 °C
Vapor Density	1
Flash Point TCC Value	85 °C TCC
logP (o/w)	1.56 est
Solubility
alcohol	Yes
water, 5266 mg/L @ 25 °C (est)	Yes
oils	Yes
propylene glycol	Yes
water	No

Odor Type: Animal
animal, sharp, acidic, cheesy, green, fruity, sweaty
Odor strength	medium , recommend smelling in a 1.00 % solution or less
Substantivity	> 336 hour(s) at 100.00 %
General comment	At 1.00 % in dipropylene glycol. animal sharp acidic cheesy green fruity sweaty
Mosciano, Gerard P&F 16, No. 2, 49, (1991)	Animalic, sharp acidic cheesey, green with a fruity sweaty nuance
Flavor Type: Sour
sour, cheesy, fresh, fruity
Mosciano, Gerard P&F 16, No. 2, 49, (1991)	At 30.00 ppm. Sour, cheesey, fresh with fruity notes
Can be used in a variety of aged cheese flavors, especially cheddar, parmesan, and romano.	Strong, acidic, slightly fruity, cheesy, sweaty

Applications	flavoring agents
Flavoring purposes	Apple, Cheese, Herbal, Strawberry
Other purposes	Topnotes

Preferred SDS: View
European information :
Most important hazard(s):
C - Corrosive.
R 21 - Harmful in contact with skin. R 34 - Causes burns. R 36/38 - Irritating to skin and eyes. S 02 - Keep out of the reach of children. S 20/21 - When using do not eat, drink or smoke. 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 36/37/39 - Wear suitable clothing, gloves and eye/face protection. S 45 - In case of accident or if you feel unwell seek medical advice immediately.

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

Category:
flavoring agents
Recommendation for 3-methyl valeric acid usage levels up to:
	not for fragrance use.

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: 8. Update in publication number(s): 29
Click here to view publication 8
		average usual ppm	average maximum ppm
baked goods:		2.00000	5.00000
beverages(nonalcoholic):		2.00000	2.00000
beverages(alcoholic):		0.20000	100.00000
breakfast cereal:		-	-
cheese:		-	-
chewing gum:		-	-
condiments / relishes:		-	-
confectionery froastings:		5.00000	5.00000
egg products:		-	-
fats / oils:		-	-
fish products:		-	-
frozen dairy:		2.00000	2.00000
fruit ices:		-	-
gelatins / puddings:		2.00000	2.00000
granulated sugar:		-	-
gravies:		-	-
hard candy:		-	-
imitation dairy:		-	-
instant coffee / tea:		-	-
jams / jellies:		-	-
meat products:		-	-
milk products:		-	-
nut products:		-	-
other grains:		-	-
poultry:		-	-
processed fruits:		-	-
processed vegetables:		-	-
reconstituted vegetables:		0.30000	3.00000
seasonings / flavors:		-	-
snack foods:		-	-
soft candy:		1.00000	5.00000
soups:		-	-
sugar substitutes:		-	-
sweet sauces:		-	-

AIDS Citations:Search

Cancer Citations:Search

Toxicology Citations:Search

EPA Substance Registry Services (TSCA):105-43-1

EPA Substance Registry Services (SRS):Registry

Laboratory Chemical Safety Summary :7755

National Institute of Allergy and Infectious Diseases:Data

WISER:UN 3265

3-methylpentanoic acid

Chemidplus:0000105431