(ethyldisulfanyl)ethane

• ChemBase ID: 130979
• Molecular Formular: C4H10S2
• Molecular Mass: 122.2522
• Monoisotopic Mass: 122.02239232
• SMILES: CCSSCC
• Canonical SMILES: CCSSCC
• InChI: InChI=1S/C4H10S2/c1-3-5-6-4-2/h3-4H2,1-2H3
• InChIKey: CETBSQOFQKLHHZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (ethyldisulfanyl)ethane
• IUPAC Traditional name: diethyl disulfide
• Synonyms: Diethyl disulfide; Ethyl disulfide; 乙二硫醚; 二乙基二硫醚; 二乙基二硫

Database IDs

• CAS Number: 110-81-6
• EC Number: 203-805-7
• MDL Number: MFCD00009266
• Beilstein Number: 1098273
• PubChem SID: 24894475; 24901978; 162225257
• PubChem CID: 8077
• FEMA ID: 4093
• Flavis Number: 12.012

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.012223
• LogD (pH = 7.4): 2.012223
• Log P: 2.012223
• Molar Refractivity: 36.5888 cm^3
• Polarizability: 14.268654 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -102°C
• Boiling Point: 151-153 °C(lit.); 152-154°C
• Flash Point: 104 °F; 40 °C; 40°C(104°F)
• Density: 0.993; 0.993 g/mL at 25 °C(lit.)
• Refractive Index: 1.5060; n20/D 1.506(lit.)

Safety Information

• RTECS: JO1925000
• European Hazard Symbols: Irritant (Xi)
• UN Number: 1993; UN1993
• German water hazard class: 2
• Hazard Class: 3
• Packing Group: 3; III
• Risk Statements: 10-36/37; 10-36/37/38
• Safety Statements: 26-36; 26-60
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H226-H315-H319-H335; H226-H319-H335-H303
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Purity: ≥98.5%; 99%
• Linear Formula: (C2H5)2S2

DETAILS

Sigma Aldrich - W409301

Packaging
1 kg in glass bottle
1 sample in glass bottle
100 g in glass bottle
5 kg in steel drum

Sigma Aldrich - E26223

Packaging
25, 100 g in glass bottle