CAS No.3268-49-3,3-(Methylthio)propionaldehyde Suppliers

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Basic Information

Molecular Structure:
CAS No.:	3268-49-3
Name:	3-(Methylthio)propionaldehyde
Article Data:	50

Formula:	C₄H₈OS
Molecular Weight:	104.173
Synonyms:	Propionaldehyde,3-(methylthio)- (6CI,7CI,8CI);3-(Methylmercapto)propionaldehyde;3-(Methylthio)propanal;3-Methylsulfanylpropionaldehyde;Methional;NSC 15874;b-(Methylmercapto)propionaldehyde;b-(Methylthio)propionaldehyde;b-(Methylthio)propionic aldehyde;3-Methylthio propionaldehyde;
EINECS:	221-882-5
Density:	0.984 g/cm³
Melting Point:	-68 °C
Boiling Point:	168.2 °C at 760 mmHg
Flash Point:	61.1 °C
Solubility:	It is readily soluble in alcohol solvents such as ethanol, propylene and glycol oil. It is insoluble in water.
Appearance:	colorless to amber liquid with an extremely foul and persistent odor
Hazard Symbols:	Xn， C
Risk Codes:	20/22-34-36/37/38-20
Safety:	26-36/37/39-45-37/39
Transport Information:	UN 2785 6.1/PG 3
PSA:	42.37000
LogP:	0.93840

Synthetic route

: 505-10-2
3-(methylthio)-1-propanol

: 3268-49-3
3-(methylsulfenyl)propanal

Conditions

Conditions	Yield
With (NH4)4[CuMo6O18(OH)6]·5H2O; oxygen; sodium sulfite In water; acetonitrile at 60℃; under 760.051 Torr; for 12h;	96%
With 1-methyl-1H-imidazole; [2,2]bipyridinyl; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; tetrakis(acetonitrile)copper(I) trifluoromethanesulfonate In acetonitrile at 20℃; for 24h;	25%
With 5H3N5H(1+)IMo6O24(5-); oxygen; sodium acetate In water; acetonitrile at 70℃; under 760.051 Torr; for 15h; Green chemistry;	97 %Chromat.
With 1-methyl-1H-imidazole; 2,2,6,6-Tetramethyl-1-piperidinyloxy free radical; C22H16BrCuF2N2O2 In acetonitrile at 20℃; for 24h; Reagent/catalyst;	78 %Chromat.

: 3-methanesulfinyl-propionaldehyde

: 3268-49-3
3-(methylsulfenyl)propanal

Conditions

Conditions	Yield
With N,N,N’,N’-tetrabromobenzene-1,3-disulfonamide; triphenylphosphine In dichloromethane at 20℃; for 0.0166667h;	90%

: 74-93-1
methylthiol

: 598-54-9, 142-71-2, 4180-12-5, 24381-58-6, 66760-61-0, 66760-62-1
copper (I) acetate

: 107-02-8
acrolein

: 3268-49-3
3-(methylsulfenyl)propanal

Conditions

Conditions	Yield
With hydroquinone	88.5%

...Expand

: 87251-88-5
Fructose-methionine Amadori intermediate

A: 64265-26-5
2,4-Dimethyltetrahydrofuran

B: 96-54-8
N-Methylpyrrole

C: 109-08-0
2-Methylpyrazine

D: 1122-62-9
2-acetylpyridine

E: 3268-49-3
3-(methylsulfenyl)propanal

F: 3740-59-8
3,4-dihydro-6-methyl-2H-pyran-2-one

Conditions

Conditions	Yield
at 260℃; for 0.0833333h; Thermal degradation;	A n/a B n/a C n/a D n/a E 70% F n/a

...Expand

: 74-93-1
methylthiol

: 107-02-8
acrolein

: 3268-49-3
3-(methylsulfenyl)propanal

Conditions

Conditions	Yield
at 0℃;	41%
With copper diacetate
With pyridine; copper diacetate

: 54974-63-9
3-(methylthio)propionitrile

: 3268-49-3
3-(methylsulfenyl)propanal

Conditions

Conditions	Yield
With hydrogenchloride; tin(ll) chloride

: 16630-61-8
1,1-diethoxy-3-methylsulfanyl-propane

: 3268-49-3
3-(methylsulfenyl)propanal

Conditions

Conditions	Yield
With hydrogenchloride; water

: 74-93-1
methylthiol

: 121-44-8
triethylamine

: 107-02-8
acrolein

: 3268-49-3
3-(methylsulfenyl)propanal

Conditions

Conditions	Yield
reagiert analog mit Thioessigsaeure;
reagiert analog mit Thioessigsaeure;

...Expand

: 74-93-1
methylthiol

: 124-41-4
sodium methylate

: 107-02-8
acrolein

: 71-43-2
benzene

: 3268-49-3
3-(methylsulfenyl)propanal

...Expand

: 2373-51-5
chloro-methylsulfanyl-methane

: 75-01-4
chloroethylene

: 3268-49-3
3-(methylsulfenyl)propanal

Conditions

Conditions	Yield
With sulfuric acid

Raw Materials

121-44-8

505-10-2

583-92-6

2373-51-5

81382-04-9

124-41-4

16630-61-8

71-43-2

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Chemistry

Molecular Structure of Methional (CAS NO.3268-49-3):

IUPAC Name: 3-Methylsulfanylpropanal
Canonical SMILES: CSCCC=O
InChI: InChI=1S/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3
InChIKey: CLUWOWRTHNNBBU-UHFFFAOYSA-N
Molecular Weight: 104.17072 [g/mol]
Molecular Formula: C₄H₈OS
XLogP3-AA: 0.3
H-Bond Donor: 0
H-Bond Acceptor: 1
EINECS: 221-882-5
Product Categories: sulfide Flavor; Sulfides flavors
storage temp.: 2-8 °C
Melting Point: -68 °C
Index of Refraction: 1.455
Molar Refractivity: 28.76 cm³
Molar Volume: 105.8 cm³
Surface Tension: 31.5 dyne/cm
Density: 0.984 g/cm³
Flash Point: 61.1 °C
Enthalpy of Vaporization: 40.46 kJ/mol
Boiling Point: 168.2 °C at 760 mmHg
Vapour Pressure: 1.64 mmHg at 25 °C
Sensitive Air Sensitive
Appearance: colorless to amber liquid with an extremely foul and persistent odor
Classification Code: Hormone Antagonists; Hormones, Hormone Substitutes, and Hormone Antagonists; Prostaglandin antagonists; Skin / Eye Irritant

Uses

Methional (CAS NO.3268-49-3) is used as a food additive.

Toxicity Data With Reference

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LC50	inhalation	5400mg/m3/2H (5400mg/m3)		Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(1), Pg. 85, 1984.
mouse	LD50	oral	1620mg/kg (1620mg/kg)		Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(1), Pg. 85, 1984.
rabbit	LDLo	skin	2500mg/kg (2500mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) LUNGS, THORAX, OR RESPIRATION: DYSPNEA BEHAVIORAL: EXCITEMENT	National Technical Information Service. Vol. OTS0534366,
rat	LC50	inhalation	5820mg/m3/4H (5820mg/m3)		Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 49(1), Pg. 85, 1984.
rat	LD50	oral	700mg/kg (700mg/kg)	BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: MUSCLE WEAKNESS GASTROINTESTINAL: ALTERATION IN GASTRIC SECRETION	National Technical Information Service. Vol. OTS0546239,

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Safety Information of Methional (CAS NO.3268-49-3):
Hazard Codes: Corrosive C, Harmful Xn
Risk Statements: 20/22-34-36/37/38-20
R20/22:Harmful by inhalation and if swallowed.
R34:Causes burns.
R36/37/38:Irritating to eyes, respiratory system and skin.
R20:Harmful by inhalation.
Safety Statements: 26-36/37/39-45-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S37/39:Wear suitable gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
RIDADR: UN 2785 6.1/PG 3
WGK Germany: 1
RTECS: UE2285000
F: 10-13-23
HazardClass: 6.1(b)
PackingGroup: III
Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of SO_x.

Standards and Recommendations

DOT Classification: 6.1; Label: KEEP AWAY FROM FOOD

Specification

Methional (CAS NO.3268-49-3), its Synonyms are 3-(Methylmercapto)propionaldehyde ; 3-(Methylthio)propanal ; 3-(Methylthio)propionaldehyde ; 3-Methylmercaptopropyl aldehyde ; Methylmercaptopropionic aldehyde ; beta-(Methylmercapto)propionaldehyde ; beta-(Methylthio)propionaldehyde ; Propanal, 3-(methylthio)- ; Propionaldehyde, 3-(methylthio)- . It is slightly soluble in water and denser than water and if contact it may slightly irritate skin, eyes and mucous membranes.