ChemicalBook CAS DataBase List 107-86-8

107-86-8

Name	3-Methyl-2-butenal
CAS	107-86-8
EINECS(EC#)	203-527-6
Molecular Formula	C5H8O
MDL Number	MFCD00010291
Molecular Weight	84.12
MOL File	107-86-8.mol

Synonyms

3,3-DIMETHYLACROLEIN 3,3-DIMETHYLACRYLADEHYDE 3,3-DIMETHYL-ACRYLALDEHYDE 3-METHYL-2-BUTENAL 3-METHYLCROTONALDEHYDE FEMA 3646 PRENAL SENECIALDEHYDE 2-Butenal, 3-methyl- 3-methyl-2-butena 3-methyl-2-butenal (prenal) 3-methyl-but-2-enal beta,beta-Dimethylacrolein beta-Methylcrotonaldehyde Crotonaldehyde, 3-methyl- Senecioaldehyde -Methyl-2-Butenal 3-Methyl-2-Crotonaldehyde 3-METHYLCROTONALDEHYDE(3-METHYL-2-BUTENAL) 3,3-Dimethylacrolein, 3,3-Dimethylacrylaldehyde, 3-Methyl-2-butenal, 3-Methylcrotonaldehyde, Prenal

Chemical Properties

Appearance	clear colorless to light yellow liquid
Melting point	-20°C
Boiling point	133-135 °C (lit.)
density	0.872 g/mL at 25 °C(lit.)
vapor pressure	7 mm Hg ( 20 °C)
FEMA	3646
refractive index	n20/D 1.462(lit.)
Fp	93 °F
storage temp.	2-8°C
solubility	soluble
form	Liquid
color	Clear colorless to light yellow
Odor	at 1.00 % in dipropylene glycol. sweet fruity pungent brown nutty almond cherry
biological source	synthetic
Odor Type	fruity
Water Solubility	soluble
Sensitive	Air Sensitive
JECFA Number	1202
Merck	14,8448
BRN	1734740
Major Application	flavors and fragrances
Cosmetics Ingredients Functions	PERFUMING
InChI	1S/C5H8O/c1-5(2)3-4-6/h3-4H,1-2H3
InChIKey	SEPQTYODOKLVSB-UHFFFAOYSA-N
SMILES	[H]C(=O)\C=C(\C)C
LogP	0.53 at 25℃
CAS DataBase Reference	107-86-8(CAS DataBase Reference)
NIST Chemistry Reference	3-methyl-2-butenal(107-86-8)
EPA Substance Registry System	107-86-8(EPA Substance)

Safety Data

Symbol(GHS)	GHS02,GHS05,GHS06
Signal word	Danger
Hazard statements	H226-H302-H314-H317-H331
Precautionary statements	P210-P280-P301+P312-P303+P361+P353-P304+P340+P310-P305+P351+P338
Hazard Codes	Xn,Xi
Risk Statements	R10:Flammable. R22:Harmful if swallowed. R37/38:Irritating to respiratory system and skin . R41:Risk of serious damage to eyes. R43:May cause sensitization by skin contact. R36/37/38:Irritating to eyes, respiratory system and skin . less more
Safety Statements	S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing . S37/39:Wear suitable gloves and eye/face protection . S16:Keep away from sources of ignition-No smoking . less more
RIDADR	UN 1989 3/PG 3
WGK Germany	2
F	9-13-23
TSCA	Yes
REACH Registrations	Active
HazardClass	3
PackingGroup	III
HS Code	29121900
Storage Class	3 - Flammable liquids
Hazard Classifications	Acute Tox. 3 Inhalation Acute Tox. 4 Oral Eye Dam. 1 Flam. Liq. 3 Skin Corr. 1B Skin Sens. 1

Raw materials And Preparation Products

Hazard Information

Description

3-Methyl-2-butenal has an almond odor.

Chemical Properties

3-Methyl-2-butenal has an almond odor

Chemical Properties

clear colorless to light yellow liquid

Uses

3-Methyl-2-butenal is used in small quantities as food flavor in alcoholic beverages, chewing gums, confection frosting, frozen dairy, fruit ice, gelatin pudding, hard and soft candy and jam jelly. Used in daily flavor, and cosmetic flavor in perfumes. A starting material for the synthesis of vitamin A.

Definition

ChEBI: An enal consisting of but-2-ene with a methyl substituent at position 3 and an oxo group at position 1.

Taste threshold values

Taste characteristics at 25 ppm: sweet, fruity and green with a nutty and cherry background.

General Description

3-Methylcrotonaldehyde is an α, β-unsaturated aldehyde. Electrochemical dimerization of 3-methylcrotonaldehyde was reported. The hydrogenation of 3-methylcrotonaldehyde over Ru, Pt and Rh was investigated.

Purification Methods

This flammable oil oxidises readily and should be fractionated under N2. It should be stored under N2 and/or vacuum. The UV has max at 235.5nm. The semicarbazone has m 221-222o (from MeOH) and the 2,4-dinitrophenylhydrazone has m 184-185o (from MeOH). [Forbes & Skilton J Org Chem 24 436 1959, Beilstein 1 III 2990, 1 IV 3464.]

Material Safety Data Sheet(MSDS)

Spectrum Detail

Well-known Reagent Company Product Information

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