Basic information
- CAS
42919-64-2- Standard SMILES
CSCCCC=O- InChIKey
RZBUXNXJKZHGLL-UHFFFAOYSA-N- Molecular formula
- C5H10OS
- Average molar mass
- 118.2 g/mol
- Monoisotopic mass
- 118.04523611
Overview
4-(Methylthio)butanal is an aldehyde.
Names & identifiers
- Preferred name
- 4-(Methylthio)butanal
- IUPAC
- 4-methylsulfanylbutanal
- English name
- 4-(methylthio)butyraldehyde
- Molecular formula
- C5H10OS
- Molecular weight
- 118.2
Names & synonyms
4-(Methylthio)butanal4-(methylsulfanyl)butanal4-(Methylthio)butyraldehydeButanal, 4-(methylthio)-FEMA No. 3414gamma-(Methylthio)butyraldehydegamma-(Methylmercapto)butyraldehydeUNII-665I2LWS8I665I2LWS8IEINECS 256-001-34-methyl thiobutyraldehydeDTXSID40195565
Show more names
4-(METHYLTHIO)BUTANAL [FHFI].GAMMA.-(METHYLTHIO)BUTYRALDEHYDE.GAMMA.-(METHYLMERCAPTO)BUTYRALDEHYDERefChem:97512Butyraldehyde, 4(methylthio)DTXCID8011805642919-64-24-methylsulfanylbutanal
Database identifiers
- CAS
42919-64-2- PubChem CID
- 62000
- DTXSID
DTXSID40195565- ChEBI
CHEBI:173453- UNII
- 665I2LWS8I
- EC Number
- 256-001-3
- Nikkaji
- J310.004I
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 45.3
Experimental & physicochemical properties
Food AdditivesFLAVORING AGENT OR ADJUVANT -> FDA Substance added to food
Density1.034-1.042
Flavoring AgentsEU Flavoring substances
Solubility(in ethanol)
Boiling Point
112.00 to 115.00 °C. @ 20.00 mm Hg
112-115 °C (20 mm Hg)
Refractive Index1.507-1.513
Physicochemical properties
- FEMA
- 3414 · 3414 | 4-(METHYLTHIO)BUTANAL
- FLAVIS Number
- 12.061 · 12.061 | 4-(Methylthio)butanal
- storage temp.
- Refrigerator, under inert atmosphere
- solubility
- Benzene (Slightly), Chloroform (Slightly)
- form
- Oil
- color
- Colourless
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
Danger
H227 (100%): Combustible liquid [Warning Flammable liquids]
P210, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory Information
Chemical: Butanal , 4-(methylthio)-
Butanal, 4-(methylthio)-: Does not have an individual approval but may be used under an appropriate group standard
Hazard Classes and CategoriesFlam. Liq. 4 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H312-H412-H302-H227-H315-H332-H335-H318
- Precautionary statements
- P261-P271-P304+P340-P312-P273-P501-P280-P302+P352-P312-P322-P363-P501-P264-P280-P302+P352-P321-P332+P313-P362-P210-P280-P370+P378-P403+P235-P501-P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Uses & manufacturing
Use Classification
Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
Flavoring Agents -> JECFA Flavorings Index
Suppliers9 total
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
湖北恒绿源科技有限公司027-88188016 18717196322 · [email protected]
艾吉析科技（上海）有限公司17717235263 17717235263 · [email protected]
Shaanxi Dideu New Materials Co. Ltd18192503167 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
LYSCHEM International LLC13911018262 · [email protected]
深圳利斯康医药科技有限公司+86-0755-89396905 +86-18025329037 · [email protected]
陕西缔都化学有限公司17691182729 17392216275 · [email protected]
Additional notes
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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