ChemicalBook--->CAS DataBase List--->16630-52-7

16630-52-7

16630-52-7 Structure

16630-52-7 Structure
IdentificationMore
[Name]

3-(Methylthio)butanal
[CAS]

16630-52-7
[Synonyms]

3-(METHYLMERCAPTO)BUTYRALDEHYDE
3-(METHYLTHIO)BUTANAL
3-METHYLTHIO BUTYLALDEHYDE
3-(METHYLTHIO)BUTYRALDEHYDE
FEMA 3374
3-(methylthio)-butana
3-(METHYLTHIO)BUTANAL 96+%
3-(Methylyhio)Butanal
Butanal, 3-(methylthio)-
3-(Methylthio)butanai
[EINECS(EC#)]

240-678-7
[Molecular Formula]

C5H10OS
[MDL Number]

MFCD00036622
[Molecular Weight]

118.2
[MOL File]

16630-52-7.mol
Chemical PropertiesBack Directory
[Boiling point ]

62-64 °C10 mm Hg(lit.)
[density ]

1.001 g/mL at 25 °C(lit.)
[vapor density ]

4.1 (vs air)
[vapor pressure ]

60 mm Hg ( 20 °C)
[FEMA ]

3374
[refractive index ]

n20/D 1.476(lit.)
[Fp ]

144 °F
[storage temp. ]

2-8°C
[solubility ]

soluble in Chloroform, Ethyl Acetate
[form ]

clear liquid
[color ]

Colorless to Light yellow
[Odor]

at 0.10 % in dipropylene glycol. green musk buchu potato chip
[biological source]

synthetic
[Odor Type]

green
[Sensitive ]

Air Sensitive
[JECFA Number]

467
[Major Application]

flavors and fragrances
[InChI]

1S/C5H10OS/c1-5(7-2)3-4-6/h4-5H,3H2,1-2H3
[InChIKey]

NCBDFIPMWRKPDU-UHFFFAOYSA-N
[SMILES]

CSC(C)CC=O
[LogP]

1.05
[CAS DataBase Reference]

16630-52-7(CAS DataBase Reference)
[EPA Substance Registry System]

16630-52-7(EPA Substance)
Safety DataBack Directory
[Symbol(GHS) ]

Flame (GHS02)Corrosion (GHS05)Skull and Crossbones (GHS06)Health Hazard (GHS08)Environment (GHS09)
GHS02,GHS05,GHS06,GHS08,GHS09
[Signal word ]

Danger
[Hazard statements ]

H226-H318-H331-H341-H400
[Precautionary statements ]

P210-P273-P280-P304+P340+P311-P305+P351+P338-P308+P313
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
[RIDADR ]

1989
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

3
[HS Code ]

29309090
[Storage Class]

3 - Flammable liquids
[Hazard Classifications]

Acute Tox. 3 Inhalation
Aquatic Acute 1
Eye Dam. 1
Flam. Liq. 3
Muta. 2
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Copper (II) acetate monohydrate-->Methyl mercaptan-->Crotonaldehyde (trans predominantly)-->Copper(II) acetate-->Sodium thiomethoxide
Hazard InformationBack Directory
[Description]

3-(Methylthio)butanal has the flavor of potato chips. It is prepared by addition of methanethiol to the corresponding unsaturated aldehyde (previously cooled to -20°C), using piperidine or copper acetate as catalyst; by a patented oxo process.
[Chemical Properties]

3-Methylthiobutyraldehyde has a green, musky, buchu odor and a flavor reminiscent of potato chip
[Occurrence]

Reported found in French fried potato and krill.
[Uses]

3-(Methylthio)butanal, is shown to be used as flavoring and fragrances agent. It is also used as a starting material for the synthesis of Sulfoxaflor (S755005), which is an insecticide .
[Definition]

ChEBI: 3-(Methylthio)butanal is an aldehyde.
[Preparation]

By addition of methanethiol to the corresponding unsaturated aldehyde (previously cooled to -20°C), using piperidine or copper acetate as catalyst; by a patented oxo process
[Taste threshold values]

Taste characteristics at 0.2 ppm: vegetative, tomato, fishy and sulfureous.
Spectrum DetailBack Directory
[Spectrum Detail]

3-(Methylthio)butanal(16630-52-7)1HNMR
3-(Methylthio)butanal(16630-52-7)FT-IR
Well-known Reagent Company Product InformationBack Directory
[Alfa Aesar]

3-(Methylthio)butyraldehyde, 95%(16630-52-7)
[Sigma Aldrich]

16630-52-7(sigmaaldrich)
[TCI AMERICA]

3-(Methylthio)butyraldehyde,>90.0%(GC)(16630-52-7)
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