3-(Methylthio)butanal
Properties
- Molecular formula
- C5H10OS
- Molar mass
- 118.19 g/mol
- Exact mass
- 118.0452 Da
- Density
- 0.997 g/mL (at 20 °C)
- Boiling point
- 40 °C (at 2.5 Torr)
- logP
- 1.33Crippen estimate
- Polar surface area
- 17.1 Ų
- H-bond donors / acceptors
- 0 / 2
- Rotatable bonds
- 3
Hazards
Danger
- H302 Harmful if swallowed87.5% of notifiers
- H312 Harmful in contact with skin87.5% of notifiers
- H315 Causes skin irritation90.4% of notifiers
- H318 Causes serious eye damage87.5% of notifiers
Aggregated from 1,489 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P354+P338, P317, P321, P330, P332+P317, P362+P364, P501
Identifiers
CAS number
16630-52-7SMILES
CSC(C)CC=OInChIKey
NCBDFIPMWRKPDU-UHFFFAOYSA-NInChI
InChI=1S/C5H10OS/c1-5(7-2)3-4-6/h4-5H,3H2,1-2H3Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
6 names
- Butanal, 3-(methylthio)-
- Butyraldehyde, 3-(methylthio)-
- β-(Methylthio)butyraldehyde
- 3-(Methylthio)butyraldehyde
- 3-Methylsulfanylbutyraldehyde
- 3-Methylsulfanylbutanal
Work with 3-(Methylthio)butanal
Similar compounds
3-Methylthiohexanal38433-74-847 % similar
Isovaleraldehyde590-86-346 % similar
3-Methylpentanedial6280-15-546 % similar
3-Hydroxybutanal107-89-141 % similar
3,5,5-Trimethylhexanal5435-64-335 % similar
Citronellal106-23-035 % similar
(R)-Citronellal2385-77-535 % similar
(S)-(-)-Citronellal5949-05-335 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds