ChemicalBook CAS DataBase List 123-15-9

123-15-9

Name	Methyl valeraldehyde
CAS	123-15-9
EINECS(EC#)	204-605-2
Molecular Formula	C6H12O
MDL Number	MFCD00006986
Molecular Weight	100.16
MOL File	123-15-9.mol

Synonyms

2-METHYL-N-VALERALDEHYDE 2-METHYLPENTALDEHYDE 2-METHYLPENTANAL 2-METHYLVALERALDEHYDE a-Methylvaleraldehyde 2-Methylpentanal FEMA 3413 Methyl valeraldehyde 2-Formylpentane 2-Methyl-1-pentanal 2-Methylpental 2-methyl-pentana 2-methyl-valeraldehyd 2-Methylvaleraldehylde 2-methylvalericaldehyde alpha-Methyl valeraldehyde alpha-Methylpentenal alpha-methylvaleraldehyde femanumber3413 n-C3H7CH(CH3)CHO Pentanal,2-methyl-

Chemical Properties

Appearance	Colorless liquid. Soluble in water 0.42% by wt, flash p68F (20C) (OC).
Melting point	-100℃
Boiling point	119-120 °C(lit.)
density	0.808 g/mL at 25 °C(lit.)
vapor density	3.45 (vs air)
FEMA	3413
refractive index	n20/D 1.401(lit.)
Fp	62 °F
solubility	Chloroform, Methanol (Slightly)
form	clear liquid
color	Colorless to Almost colorless
Odor	at 10.00 % in dipropylene glycol. ethereal fruity green
Odor Type	ethereal
Water Solubility	Soluble in water (4.2g/L at 25°C).
Sensitive	Air Sensitive
JECFA Number	260
BRN	1739423
Henry's Law Constant	5.3×10^-2 mol/(m³Pa) at 25℃, Wang et al. (2017)
InChI	1S/C6H12O/c1-3-4-6(2)5-7/h5-6H,3-4H2,1-2H3
InChIKey	FTZILAQGHINQQR-UHFFFAOYSA-N
SMILES	CCCC(C)C=O
LogP	1.79
Uses	Intermediates for dyes, resins, pharmaceuticals. less more
CAS DataBase Reference	123-15-9(CAS DataBase Reference)
NIST Chemistry Reference	Pentanal, 2-methyl-(123-15-9)
EPA Substance Registry System	123-15-9(EPA Substance)

Safety Data

Symbol(GHS)	GHS02,GHS07
Signal word	Danger
Hazard statements	H225-H315-H319-H335
Precautionary statements	P210-P233-P240-P241-P303+P361+P353-P305+P351+P338
Hazard Codes	F,Xi
Risk Statements	R11:Highly Flammable. R36/37/38:Irritating to eyes, respiratory system and skin . R52/53:Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment . less more
Safety Statements	S16:Keep away from sources of ignition-No smoking . S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing . less more
RIDADR	UN 2367 3/PG 2
WGK Germany	1
RTECS	RZ6905000
F	9-23
Autoignition Temperature	390 °F
TSCA	Yes
REACH Registrations	Inactive
HazardClass	3
PackingGroup	II
HS Code	29121900
Storage Class	3 - Flammable liquids
Hazard Classifications	Eye Irrit. 2 Flam. Liq. 2 Skin Irrit. 2 STOT SE 3
Hazardous Substances Data	123-15-9(Hazardous Substances Data)
Toxicity	mouse,LD50,oral,> 3200mg/kg (3200mg/kg),Kodak Company Reports. Vol. 21MAY1971, less more

Raw materials And Preparation Products

Hazard Information

General Description

A colorless liquid. Less dense than water. Flash point near 50°F. Used to make rubber and artificial flavorings.

Reactivity Profile

ALPHA-METHYLVALERALDEHYDE(123-15-9) is an aldehyde. Aldehydes are frequently involved in self-condensation or polymerization reactions. These reactions are exothermic; they are often catalyzed by acid. Aldehydes are readily oxidized to give carboxylic acids. Flammable and/or toxic gases are generated by the combination of aldehydes with azo, diazo compounds, dithiocarbamates, nitrides, and strong reducing agents. Aldehydes can react with air to give first peroxo acids, and ultimately carboxylic acids. These autoxidation reactions are activated by light, catalyzed by salts of transition metals, and are autocatalytic (catalyzed by the products of the reaction). The addition of stabilizers (antioxidants) to shipments of aldehydes retards autoxidation.

Air & Water Reactions

Highly flammable. Slightly soluble in water.

Hazard

Flammable, dangerous fire risk. Strong irri-tant to skin and mucous membranes.

Health Hazard

May cause toxic effects if inhaled or absorbed through skin. Inhalation or contact with material may irritate or burn skin and eyes. Fire will produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or suffocation. Runoff from fire control or dilution water may cause pollution.

Fire Hazard

HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along ground and collect in low or confined areas (sewers, basements, tanks). Vapor explosion hazard indoors, outdoors or in sewers. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids are lighter than water.

Description

2-Methylpentanal has an ethereal, fruity odor. This may be prepared from 2-methylpentanol by catalytic oxidation.

Chemical Properties

Colorless liquid. Soluble in water 0.42% by wt, flash p68F (20C) (OC).

Occurrence

Reported found in onion, leek, garlic, milk, roasted peanuts, wheat bread, cooked beef, cured pork, coffee, beer, tea, trassi, rice and mango.

Definition

ChEBI: 2-Methylpentanal is a 2-methyl-branched fatty aldehyde.

Preparation

From 2-methylpentanol by catalytic oxidation.

Aroma threshold values

Detection: 1.6 to 3.2 ppb

Taste threshold values

Taste characteristics at 5.0 ppm: vegetative and green with a fruity, grape-like nuance.

Synthesis Reference(s)

Synthesis, p. 717, 1985 DOI: 10.1055/s-1985-31327

Flammability and Explosibility

Highlyflammable

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

Supplier

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