Propanal, 2-methyl-2-(methylthio)-
Basic information
- CAS
16042-21-0- Standard SMILES
CSC(C)(C)C=O- InChIKey
DIPLXSBTYRDLGV-UHFFFAOYSA-N- Molecular formula
- C5H10OS
- Average molar mass
- 118.2 g/mol
- Monoisotopic mass
- 118.04523611
Names & identifiers
- Preferred name
- Propanal, 2-methyl-2-(methylthio)-
- IUPAC
- 2-methyl-2-methylsulfanylpropanal
- English name
- 2-methyl-2-(methylthio)propionaldehyde
- Molecular formula
- C5H10OS
- Molecular weight
- 118.2
Names & synonyms
16042-21-02-(Methylthio)isobutyraldehyde2-Methyl-2-(methylthio)propionaldehyde2-methyl-2-(methylthio)propanalPropanal, 2-methyl-2-(methylthio)-EINECS 240-184-1DTXSID4065999RefChem:868703DTXCID0035164240-184-12-methyl-2-(methylsulfanyl)propanal2-Methyl-2-methylsulfanyl-propanal
Show more names
2-Methyl-2-methylsulfanyl-propionaldehyde
MFCD125469182-methyl-2-methylsulfanylpropanalSCHEMBL789601EAM9F849L4DIPLXSBTYRDLGV-UHFFFAOYSA-NAKOS017343681AT277462-methyl-2-(methylthio) propionaldehyde
Database identifiers
- CAS
16042-21-0- PubChem CID
- 85250
- DTXSID
DTXSID4065999- UNII
- EAM9F849L4
- EC Number
- 240-184-1
- Nikkaji
- J219.947E
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 68.5
Physicochemical properties
- EPA Substance Registry System
- 2 · Propanal, 2-methyl-2-(methylthio)- (16042-21-0)
- Symbol(GHS)
- 7 · GHS07,GHS02
- Signal word
- Warning
- Hazard statements
- 312 · H312-H332-H302-H315-H335-H319-H226
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07,GHS02
- Hazard statements
- H312-H332-H302-H315-H335-H319-H226
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P261-P271-P304+P340-P312-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationPropanal, 2-methyl-2-(methylthio)-: INACTIVE
Applications
Uses2-Methyl-2-methylsulfanyl-propanal antioxidant efficacy of some nature essential oils.
Suppliers
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Related reactions
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Compound notes
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