C4H8SO
3-(methylthio)propionaldehyde
CAS: 3268-49-3
Molecular Formula: C4H8OS
C4H8SO - Names and Identifiers
| Name | 3-(methylthio)propionaldehyde |
| Synonyms | C4H8SO NSC 15874 3-(methylthio)-propana 3-Methyl propionaldehyde propanal, 3-(methylthio)- 3-(methylthio)-1-propanal 3-(Methylsulfanyl)propanal 2-(methylsulfanyl)propanal 3-Methylthiopropylaldehyde Propanal, 3- (methylthio)- 3-Methylthio propionaldehyde 3-(methylthio)propionaldehyde 3-(methylthio)-propionaldehyd Propionaldehyde, 3-(methylthio)- .beta.-(Methylthio)propionaldehyde 3-Methyl Propionaldehyde(FEMA No.2747) |
| CAS | 3268-49-3 |
| EINECS | 221-882-5 |
| InChI | InChI=1/C4H8OS/c1-4(3-5)6-2/h3-4H,1-2H3 |
| InChIKey | CLUWOWRTHNNBBU-UHFFFAOYSA-N |
C4H8SO - Physico-chemical Properties
| Molecular Formula | C4H8OS |
| Molar Mass | 104.17 |
| Density | 1.043g/mLat 25°C(lit.) |
| Melting Point | -68°C |
| Boling Point | 165-166°C(lit.) |
| Flash Point | 142°F |
| JECFA Number | 466 |
| Water Solubility | It is readily soluble in alcohol solvents such as ethanol, propylene and glycol oil. It is insoluble in water. |
| Vapor Presure | 760 mm Hg ( 165 °C) |
| Vapor Density | >1 (vs air) |
| Appearance | liquid |
| BRN | 1739289 |
| Storage Condition | 2-8°C |
| Sensitive | Air Sensitive |
| Explosive Limit | 1.3-26.1%(V) |
| Refractive Index | n20/D 1.483(lit.) |
| Physical and Chemical Properties | A liquid with a foul odor. |
C4H8SO - Risk and Safety
| Risk Codes | R20/22 - Harmful by inhalation and if swallowed. R34 - Causes burns R36/37/38 - Irritating to eyes, respiratory system and skin. R20 - Harmful by inhalation R52/53 - Harmful to aquatic organisms, may cause long-term adverse effects in the aquatic environment. R43 - May cause sensitization by skin contact R41 - Risk of serious damage to eyes R38 - Irritating to the skin R20/21/22 - Harmful by inhalation, in contact with skin and if swallowed. |
| Safety Description | S26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. S36/37/39 - Wear suitable protective clothing, gloves and eye/face protection. S45 - In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.) S37/39 - Wear suitable gloves and eye/face protection |
| UN IDs | UN 2785 6.1/PG 3 |
| WGK Germany | 1 |
| RTECS | UE2285000 |
| FLUKA BRAND F CODES | 10-13-23 |
| TSCA | Yes |
| HS Code | 29309070 |
| Hazard Class | 6.1(b) |
| Packing Group | III |
C4H8SO - Nature
Open Data Verified Data
A liquid with a bad smell. Boiling point 165~166 deg C. Density: 1.441G/cm3. Ignition point: 61 ℃. Refractive index 4839.
Last Update：2024-01-02 23:10:35
C4H8SO - Preparation Method
Open Data Verified Data
- obtained by addition of acrolein and methyl mercaptan.
- acrolein and methanol were added to the reaction tank, and copper acetate was added with stirring. Heating to 30~40 °c, through the cooling, acid washing, dehydration of methyl mercaptan to the reaction liquid phase density reached 1. 060~1. 065, that is, 3 A methyl sulfide propionaldehyde.
Last Update：2022-01-01 10:37:49
C4H8SO - Use
Open Data Verified Data
an intermediate of methionine in medicine.
Last Update：2022-01-01 10:37:49
C4H8SO - Safety
Open Data Verified Data
This product is highly toxic. Characterized by weakness, drowsiness, Head Pain, dizziness, irritability, Sleep Initiation and Maintenance Disorders, hyperhidrosis, Dyspnea, Cough. The production equipment should be closed, the workshop should be well ventilated, and the operator should wear protective equipment.
Last Update：2022-01-01 10:37:50
C4H8SO - Reference Information
| FEMA | 2747 | 3-(METHYLTHIO)PROPIONALDEHYDE |
| LogP | 0.34 at 20℃ |
| NIST chemical information | Information provided by: webbook.nist.gov (external link) |
| EPA chemical information | Information provided by: ofmpub.epa.gov (external link) |
| content analysis | measured by gas-liquid chromatography (GT-10-4) with polar column. |
| toxicity | can be safely used in food (FDA, 172.515,2000). |
| usage limit | FEMA(mg/kg): soft drink 0.35; Cold drinks, candy 0.01~1.0; Baked products 0.66; Seasoning 0.62; Meat 1.9. |
| use | used as food flavor GB 2760-1996 regulations are allowed to use food spices. Intermediate of pharmaceutical methionine. |
| Production method | It is obtained by the addition reaction of acrolein and methyl mercaptan. Add acrolein and formic acid to the reaction pot, add ketone acetate under stirring, heat to 30-40 ℃, pass in the cooled and pickled dehydrated methyl mercaptan, until the reaction liquid phase has a relative density of 1.060-1.074(20 ℃), that is, 3-methylthiopropionaldehyde. It is obtained by oxidation of 3-methylthiopropanol. It is formed by condensation of acrolein and methyl mercaptan in the presence of copper acetate and formic acid. |
| category | toxic substances |
| toxicity classification | poisoning |
| acute toxicity | oral-rat LD50: 4400 mg/kg; Oral-mouse LD50: 1620 mg/kg |
| flammability hazard characteristics | open flame combustible; decomposition of toxic sulfide gas when heated |
| storage and transportation characteristics | warehouse ventilation and low temperature drying; separate from food and oxidant storage and transportation |
| fire extinguishing agent | foam, mist water, dry powder, carbon dioxide |
| toxic substance data | information provided by: pubchem.ncbi.nlm.nih.gov (external link) |
Last Update：2024-04-09 02:00:05
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