ChemicalBook CAS DataBase List 3268-49-3

3268-49-3

Name	3-(Methylthio)propionaldehyde
CAS	3268-49-3
EINECS(EC#)	221-882-5
Molecular Formula	C4H8OS
MDL Number	MFCD00007022
Molecular Weight	104.17
MOL File	3268-49-3.mol

Synonyms

3-(METHYLMERCAPTO)PROPIONALDEHYDE 3-(METHYLTHIO)PROPANAL 3-(METHYLTHIO)PROPIONALDEHYDE 3-Methylthiopropoanaldehyde 4-THIAPENTANAL FEMA 2747 FEMA 3174 METHIONAL METHYL MERCAPTOPROPIONALDEHYDE 3-(Methylsulfanyl)propanal 3-(methylthio)-1-propanal 3-(methylthio)-propana 3-(methylthio)-propionaldehyd 3-(methylthio)propionaldehyde (methional) 3-(methylthiol)propanal 3-(methythio)-propanal 3-Methylthiopropional beta-(Methylmercapto)propionaldehyde beta-(Methylthio)propionaldehyde Methylmercaptopropionic aldehyde

Chemical Properties

Appearance	CLEAR COLOURLESS LIQUID
Melting point	-68°C
Boiling point	165-166 °C(lit.)
density	1.043 g/mL at 25 °C(lit.)
vapor density	>1 (vs air)
vapor pressure	760 mm Hg ( 165 °C)
FEMA	2747
refractive index	n20/D 1.483(lit.)
Fp	142 °F
storage temp.	2-8°C
solubility	<=75g/l
form	liquid
Odor	at 0.10 % in propylene glycol. musty potato tomato earthy vegetable creamy
biological source	synthetic
explosive limit	1.3-26.1%(V)
Odor Type	vegetable
Water Solubility	It is readily soluble in alcohol solvents such as ethanol, propylene and glycol oil. It is insoluble in water.
Sensitive	Air Sensitive
JECFA Number	466
BRN	1739289
Major Application	flavors and fragrances
InChI	1S/C4H8OS/c1-6-4-2-3-5/h3H,2,4H2,1H3
InChIKey	CLUWOWRTHNNBBU-UHFFFAOYSA-N
SMILES	CSCCC=O
LogP	0.34 at 20℃
Uses	3-Methylthiopropionaldehyde is a synthetic flavoring agent that is a colorless to light yellow liquid with an intense meat odor. it polymerizes with age and is stable in a 50% alcohol solution. it should be stored in glass containers. it is used at low concentrations for meat and broth flavors for applications in meats and condiments at 3 ppm and in baked goods and beverages at 0.5 ppm. less more
CAS DataBase Reference	3268-49-3(CAS DataBase Reference)
NIST Chemistry Reference	Propanal, 3-(methylthio)-(3268-49-3)
EPA Substance Registry System	3268-49-3(EPA Substance)

Safety Data

Symbol(GHS)	GHS05,GHS06
Signal word	Danger
Hazard statements	H302+H332-H311-H315-H317-H318-H412
Precautionary statements	P273-P280-P301+P312-P302+P352+P312-P304+P340+P312-P305+P351+P338
Hazard Codes	C,Xn
Risk Statements	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. less more
Safety Statements	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 . S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . S37/39:Wear suitable gloves and eye/face protection . less more
RIDADR	UN 2785 6.1/PG 3
WGK Germany	1
RTECS	UE2285000
F	10-13-23
TSCA	Yes
REACH Registrations	Active
HazardClass	6.1(b)
PackingGroup	III
HS Code	29309070
Storage Class	6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects
Hazard Classifications	Acute Tox. 3 Dermal Acute Tox. 4 Inhalation Acute Tox. 4 Oral Aquatic Chronic 3 Eye Dam. 1 Skin Irrit. 2 Skin Sens. 1
Safety Profile	Moderately toxic by ingestion. When heated to decomposition it emits toxic vapors of SOx. less more
Hazardous Substances Data	3268-49-3(Hazardous Substances Data)

Raw materials And Preparation Products

Hazard Information

General Description

A colorless to amber liquid with an extremely foul and persistent odor. Slightly soluble in water and denser than water. Contact may slightly irritate skin, eyes and mucous membranes. Moderately toxic. Used as a food additive.

Reactivity Profile

Organosulfides, such as 4-THIAPENTANAL(3268-49-3), are incompatible with acids, diazo and azo compounds, halocarbons, isocyanates, aldehydes, alkali metals, nitrides, hydrides, and other strong reducing agents. Reactions with these materials generate heat and in many cases hydrogen gas. Many of these compounds may liberate hydrogen sulfide upon decomposition or reaction with an acid.

Air & Water Reactions

Slightly soluble in water.

Health Hazard

Highly toxic, may be fatal if inhaled, swallowed or absorbed through skin. Contact with molten substance may cause severe burns to skin and eyes. Avoid any skin contact. Effects of contact or inhalation may be delayed. Fire may produce irritating, corrosive and/or toxic gases. Runoff from fire control or dilution water may be corrosive and/or toxic and cause pollution.

Fire Hazard

Combustible material: may burn but does not ignite readily. Containers may explode when heated. Runoff may pollute waterways. Substance may be transported in a molten form.

Chemical Properties

3-(Methylthio) propionaldehyde has a powerful, onion, meat-like odor. It has a pleasant, warm, meat and soup-like flavor at low levels

Chemical Properties

CLEAR COLOURLESS LIQUID

Occurrence

Reported found in potato, potato chips, asparagus, tomato, tomato paste, wheat and rye bread, many cheeses, boiled egg, meats, hop oil, beer, malt whiskey, cocoa, coffee, roasted filberts and peanuts, popcorn, baked potato, cooked chicken, oatmeal, passion fruit, beans, mushroom, macadamia nut, tamarind, parsnip root, jackfruit, pumpkin, sweet corn, dried bonito, krill, shrimps, crayfish and scallops

Definition

ChEBI: 3-methylthiopropanal is an aliphatic sulfide. It has a role as a prostaglandin antagonist. It is functionally related to a propanal.

Preparation

By transamination and decarboxylation of various amino acids; by oxidation of the alcohol

Aroma threshold values

Aroma characteristics at 0.1%: vegetable oil, creamy tomato, potato skin and French fry, yeasty, bready, limburger cheese with a savory meaty brothy nuance

Taste threshold values

Taste characteristics at 5 ppb to 5 ppm: potato, musty, tomato, mold ripened cheeses, onion, beefy brothy, egg, seafood and vegetative nuances.

Synthesis Reference(s)

Journal of the American Chemical Society, 70, p. 1450, 1948 DOI: 10.1021/ja01184a044

Flammability and Explosibility

Notclassified

Biochem/physiol Actions

Taste at 0.5-1ppm

Synthesis

3-(Methylthio)propionaldehyde's synthesis method is as follows: (in Nature) by transamination and decarboxylation of various amino acids

Material Safety Data Sheet(MSDS)

Spectrum Detail

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