3268-49-3
Product Name:
3-(Methylthio)propionaldehyde
Formula:
C4H8OS
Synonyms:
3-(Methylmercapto)propionaldehyde;3-(Methylthio)propanal;3-(Methylthio)propionaldehyde;Methional;NSC 15874
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Physical Description | 4-thiapentanal appears as a colorless to amber liquid with an extremely foul and persistent odor. Slightly soluble in water and denser than water. Contact may slightly irritate skin, eyes and mucous membranes. Moderately toxic. Used as a food additive. |
|---|---|
| Color/Form | Colorless to pale yellow liquid |
| Odor | Powerful, onion, meat-like odor |
| Taste | Pleasant, warm, meat and soup-like flavor at low levels |
| Boiling Point | BP: 62 °C at 11 mm Hg |
| Melting Point | -75 °C |
| Flash Point | 142 °F (NFPA, 2010) |
| Solubility | In water, 16.3% vol at 25 °C, pH 7 |
| Density | Relative density (water = 1): 1.03 |
| Vapor Density | Relative vapor density (air = 1): 3.60 |
| Vapor Pressure | 0.75 [mmHg] |
| LogP | -0.16 |
| Stability/Shelf Life | Stable under recommended storage conditions. |
| Autoignition Temperature | 491 °F (255 °C) |
| Decomposition | When heated to decomposition it emits toxic vapors of SO(x). |
| Odor Threshold | Odor Threshold Low: 0.00008 [mmHg] Odor threshold from Reference #1 |
| Refractive Index | Refractive index: 1.482-1.493 |
| Kovats Retention Index | 861 861 863 863 867 890 864 866 872 880 861 865 871 870 866 865 866 863 861 863 870 863 863 870 864 864 874 862 866 866 879 870 872 862 900 861 863 861 864 856 872 875 856 872 874 856 861 862 867.6 |
| Other Experimental Properties | log Kow 0.34 at 20 °C, pH 7.4-7.8; VP: 53-100 Pa at 20 -27 °C; BP: 170.3 °C at 101.3 kPa; MP: -75 °C at 101.3 kPa; Relative density: 1.04 at 20 °C |
| Chemical Classes | Other Classes -> Aldehydes |
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Corrosion Corrosives GHS05  Skull and Crossbones Acute Toxicity GHS06 |
| GHS Hazard Statements |
H311:Acute toxicity,dermal H315:Skin corrosion/irritation H317:Sensitisation, Skin H318:Serious eye damage/eye irritation H412:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P273:Avoid release to the environment. P280:Wear protective gloves/protective clothing/eye protection/face protection. P301+P312:IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell. P305+P351+P338:IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing. |
COMPUTED DESCRIPTORS
| Molecular Weight | 104.17 g/mol |
|---|---|
| XLogP3 | 0.3 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 2 |
| Rotatable Bond Count | 3 |
| Exact Mass | 104.02958605 g/mol |
| Monoisotopic Mass | 104.02958605 g/mol |
| Topological Polar Surface Area | 42.4 Ų |
| Heavy Atom Count | 6 |
| Formal Charge | 0 |
| Complexity | 36.5 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
4-thiapentanal appears as a colorless to amber liquid with an extremely foul and persistent odor. Slightly soluble in water and denser than water. Contact may slightly irritate skin, eyes and mucous membranes. Moderately toxic. Used as a food additive.