(methylsulfanyl)methane

• ChemBase ID: 107157
• Molecular Formular: C2H6S
• Molecular Mass: 62.13404
• Monoisotopic Mass: 62.01902119
• SMILES: CSC
• Canonical SMILES: CSC
• InChI: InChI=1S/C2H6S/c1-3-2/h1-2H3
• InChIKey: QMMFVYPAHWMCMS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (methylsulfanyl)methane
• IUPAC Systematic name: (Methylsulfanyl)methane
• IUPAC Traditional name: dimethyl sulfide
• Synonyms: DIMETHYL SULFIDE; DMS; Methyl sulfide; Dimethyl sulfide; 甲硫醚; 二甲基硫醚

Database IDs

• CAS Number: 75-18-3
• EC Number: 200-846-2
• MDL Number: MFCD00008562
• Beilstein Number: 1696847
• Merck Index: 146123
• PubChem SID: 24870744; 24901306; 24866063; 162088796; 24856582; 24901305
• PubChem CID: 1068
• CHEBI ID: 17437
• CHEMBL: 15580
• Chemspider ID: 1039
• FEMA ID: 2746
• KEGG ID: C00580
• MeSH Name: dimethyl+sulfide
• Unique Ingredient Identifier: QS3J7O7L3U
• Wikipedia Title: Dimethyl_sulfide
• Council of Europe Number: 483c
• Flavis Number: 12.006

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 1.2235795
• LogD (pH = 7.4): 1.2235795
• Log P: 1.2235795
• Molar Refractivity: 18.8917 cm^3
• Polarizability: 7.4785047 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Apperance: Colourless liquid; Liquid
• Melting Point: -83°C; -83°C; -98 °C(lit.); -98.15°C (175K)
• Boiling Point: 34.85 - 40.85°C (308 - 314 K); 37.3°C; 38 °C(lit.); 38°C
• Flash Point: -32.8 °F; -36 °C; -48°C(-54°F)
• Auto Ignition Point: 206 °C; 402 °F
• Density: 0.845; 0.846 g cm^-3; 0.846 g/mL at 25 °C(lit.); 0.8483 g/ml
• Refractive Index: 1.435; 1.4351; n20/D 1.435; n20/D 1.435(lit.)
• Vapor Pressure: 26.24 psi ( 55 °C); 53.7 kPa (at 20 °C); 7.79 psi ( 20 °C)
• Vapor Density: 2.1 (vs air)
• Partition Coefficient: 0.977
• Odor: Cabbage, sulfurous
• Std enthalpy of combustion: -2.1818--2.1812 MJ mol^-1
• Std enthalpy of formation: -66.9--63.9 kJ mol^-1
• Organoleptic: sulfurous; vegetable

Safety Information

• RTECS: PV5075000
• European Hazard Symbols: Flammable (F); X; Irritant (Xi); Harmful (Xn)
• UN Number: 1164; UN1164
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-22-37/38-41; 11-37/38-41; R:11-36/37; R11, R22, R37/38, R41
• Safety Statements: 7-9-16-26-29-33-36/39; 9-16-23-26-33-36/37/39; S:3-9-16-26; S7, S9, S16, S26, S29, S33, S36/39
• TSCA Listed: 是
• GHS Pictograms: GHS corrosion; GHS exclamation mark; GHS flame; GHS02; GHS05; GHS07
• GHS Signal Word: DANGER; Danger
• Explode Limits: 19.7 %; 19.7%
• GHS Hazard statements: 225, 315, 318, 335; H225-H315-H318-H335; H225-H318-H315-H302-H335-H333
• GHS Precautionary statements: 210, 261, 280, 305+351+338; P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P261-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US)
• RID/ADR: UN 1164 3/PG 2
• Storage Temperature: 2-8°C
• Regulation Compliance: EU Regulation 1334/2008 & 178/2002; FCC; FDA 21 CFR (172.515)

Pharmacology Properties

• Gene Information: rat ... Maoa(29253), Maob(25750)
• Allergens: no known allergens

Product Information

• Purity: ≥95.0% (GC); ≥99%; ≥99.0%; ≥99.0% (GC); 98%; 99+%
• Grade: anhydrous; FG; Halal; Kosher; natural; NI; puriss.; redistilled
• Evaporation Residue: <0.0005%
• Impurities: <0.003% water; <0.005% water(100 mL pkg)
• Linear Formula: (CH3)2S

DETAILS

MP Biomedicals - 05202758

MP Biomedicals Rare Chemical collection

Sigma Aldrich - W274615

Packaging
1 kg in glass bottle
9kg packaged in closed-head steel drums; sample, 1kg packaged in glass bottles
1 sample in glass bottle
5, 9, 25 kg in steel drum

Sigma Aldrich - W274623

Packaging
1 kg in glass bottle
1 sample in glass bottle
25, 100 g in glass bottle

Sigma Aldrich - 41625

Packaging
1 L in glass bottle
250 mL in glass bottle

Sigma Aldrich - 471577

Packaging
2, 2.5 L in glass bottle
20 L in steel drum
25, 250 mL in glass bottle
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Legal Information
Product of Arkema

Sigma Aldrich - 274380

Packaging
1 L in Sure/Seal™
100 mL in Sure/Seal™