(S)-2-Methylbutanal
Basic information
- CAS
1730-97-8- Standard SMILES
CC[C@H](C)C=O- InChIKey
BYGQBDHUGHBGMD-YFKPBYRVSA-N- Molecular formula
- C5H10O
- Average molar mass
- 86.13 g/mol
- Monoisotopic mass
- 86.07316494
Overview
(S)-2-methylbutanal is a 2-methylbutanal that has S configuration.
Names & identifiers
- Preferred name
- (S)-2-Methylbutanal
- IUPAC
- (2S)-2-methylbutanal
- English name
- S-2-Methylbutanal
- Molecular formula
- C5H10O
- Molecular weight
- 86.13
Names & synonyms
(S)-2-methylbutanal(2S)-2-methylbutanalCHEBI:88414RefChem:10511581730-97-8(S)-2-methylbutyraldehydeS-2-METHYLBUTANAL(2S)-2-methylbutyraldehyde(s)-(+)-2-methylbutanal(S)-2-methylbutyric aldehydeSCHEMBL933420SCHEMBL933421
Show more names
2(S)-MethylbutanalButanal, 2-methyl-, (2S)-[S,(+)]-2-Methylbutyraldehyde
(2S)-2-methylbutyric aldehyde(S)-alpha-methylbutyric aldehydeDTXSID801346324AT48188Q27160271
Database identifiers
- CAS
1730-97-8- PubChem CID
- 6971249
- DTXSID
DTXSID801346324- ChEBI
CHEBI:88414- Nikkaji
- J51.972C
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 41.2
Experimental & physicochemical properties
SpringerMaterials PropertiesDensity
Physicochemical properties
- Boiling point
- 90 · 90-92 °C
- Density
- 0.7988 g/cm3 · 0.7988 g/cm3
- Odor
- 10 % · at 10.00 % in propylene glycol. fresh fruity cocoa coffee
- Odor Type
- fruity
- LogP
- 1.267 · 1.267 (est)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Upstream & downstream products
Upstream raw materials
Downstream products
Additional notes
DefinitionChEBI: (S)-2-methylbutanal is a 2-methylbutanal that has S configuration.
Related reactions
2 records
Compound notes
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