2-methyl valeraldehyde

General Material Information

Preferred name	2-methyl valeraldehyde
Trivial Name	(±)-2-Methylpentanal
Short Description	2-methylpentanal
Formula	C6 H12 O
CAS Number	123-15-9
FEMA Number	3413
Flavis Number	5.069
ECHA Number	204-605-2
FDA UNII	64L45T2504
Nikkaji Number	J59.528D
Beilstein Number	1739423
MDL	MFCD00006986
COE Number	706
xLogP3-AA	1.70 (est)
Bio Activity Summary	External link
NMR Predictor	External link
JECFA Food Flavoring	260 2-methylpentanal
FDA Patent	No longer provide for the use of these seven synthetic flavoring substances
FDA Mainterm	123-15-9 ; 2-METHYLPENTANAL
Synonyms	2-formyl pentane 2-formylpentane 2-methyl pentaldehyde 2-methyl pentanal alpha- methyl pentanal 2-methyl valeric aldehyde 2-methylpentaldehyde 2-methylpentanal a- methylpentanal 2-methylvaleraldehyde a- methylvaleraldehyde 2-methylvaleric aldehyde pentanal, 2-methyl- valeraldehyde, 2-methyl- 2-Methylpentanal 2-Methylvaleraldehyde α-Methylpentanal 2-Formylpentane 2-Methylvaleric aldehyde (±)-2-Methylpentanal NSC 49351 α-Methylvaleraldehyde

(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

BASF	Beijing Lys Chemicals
Best Value Chem	M&U International
Parchem	Penta International
Santa Cruz Biotechnology	Sigma-Aldrich: Aldrich
Synerzine	TCI AMERICA
WholeChem	M&U International LLC
Penta International Corporation

Material listed in food chemical codex	No
Molecular weight	100.16084289551
Specific gravity	@ 20 °C
Pounds per Gallon	6.731 to 6.765
Refractive Index	1.398 to 1.402 @ 20 °C
Boiling Point	119 to 120°C @ 760 mm Hg
Vapor Pressure	16.915001 mmHg @ 25 °C
Flash Point TCC Value	16.67 °C TCC
logP (o/w)	1.777 est
Solubility
alcohol	Yes
water, 3930 mg/L @ 25 °C (est)	Yes
water	No

Odor Type: Ethereal
ethereal, fruity, green, vegetable
General comment	At 10.00 % in dipropylene glycol. ethereal fruity green
Mosciano, Gerard P&F 22, No. 1, 57, (1997)	Etherial, green and vegetative with a fruity nuance
Flavor Type: Vegetable
vegetable, green, fruity, grape
Mosciano, Gerard P&F 22, No. 1, 57, (1997)	At 5.00 ppm. Vegetative and green with a fruity, grape-like nuance

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

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:		-	-