ChemicalBook--->CAS DataBase List--->3268-49-3

3268-49-3

3268-49-3 Structure

3268-49-3 Structure
IdentificationMore
[Name]

3-(Methylthio)propionaldehyde
[CAS]

3268-49-3
[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
[EINECS(EC#)]

221-882-5
[Molecular Formula]

C4H8OS
[MDL Number]

MFCD00007022
[Molecular Weight]

104.17
[MOL File]

3268-49-3.mol
Chemical PropertiesBack Directory
[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.
[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 DataBack Directory
[Symbol(GHS) ]

Corrosion (GHS05)Skull and Crossbones (GHS06)
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.
[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 .
[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.
[Hazardous Substances Data]

3268-49-3(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Acrolein-->Copper (II) acetate monohydrate-->Methyl mercaptan-->3-Methylthiopropanol-->1,1-diethoxy-3-(methylthio)propane-->3-(Methylthio)propanenitrile-->4-methylsulfanyl-2-oxo-butanoic acid-->Chloromethyl methyl sulfide-->L-Methionine
[Preparation Products]

3-(Methylsulfonyl)propanal
Hazard InformationBack Directory
[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)Back Directory
[msds information]

Methional(3268-49-3).msds
Spectrum DetailBack Directory
[Spectrum Detail]

3-(Methylthio)propionaldehyde(3268-49-3)MS
3-(Methylthio)propionaldehyde(3268-49-3)1HNMR
3-(Methylthio)propionaldehyde(3268-49-3)13CNMR
3-(Methylthio)propionaldehyde(3268-49-3)Raman
3-(Methylthio)propionaldehyde(3268-49-3)IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-(Methylthio)propionaldehyde, 98%(3268-49-3)
[Sigma Aldrich]

3268-49-3(sigmaaldrich)
[TCI AMERICA]

3-(Methylthio)propionaldehyde,>97.0%(GC)(3268-49-3)
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