W383503

Ethyl (methylthio)acetate

≥98%, FG

• Synonym(s): (Methylthio)acetic acid ethyl ester, Ethyl α-(methylthio)acetate
• Linear Formula: CH₃SCH₂CO₂C₂H₅
• CAS Number: 4455-13-4
• Molecular Weight: 134.20
• FEMA Number: 3835
• EC Number: 224-700-2
• MDL number: MFCD00009182
• UNSPSC Code: 12164502
• PubChem Substance ID: 24901902
• Flavis number: 12.122
• NACRES: NA.21

Properties

• biological source: synthetic
• Quality Level: 400
• grade: FG
• agency: meets requirements for JECFA
• reg. compliance: EU Regulation 1334/2008 & 872/2012
• assay: ≥98%
• color: colorless
• refractive index: n20/D 1.459 (lit.)
• bp: 70-72 °C/25 mmHg (lit.)
• density: 1.043 g/mL at 25 °C (lit.)
• application(s): flavors and fragrances
• documentation: see Safety & Documentation for available documents
• food allergen: no known allergens
• organoleptic: green; tropical; fruity; sulfurous
• SMILES string: CCOC(=O)CSC
• InChI: 1S/C5H10O2S/c1-3-7-5(6)4-8-2/h3-4H2,1-2H3
• InChI key: MDIAKIHKBBNYHF-UHFFFAOYSA-N

Description

General description

Natural occurrence: Apple and melon.

Biochem/physiol Actions

Odor at 1.0%

Taste at 1-2 ppm

Safety Information

• pictograms: GHS02,GHS07
• signalword: Warning
• hcodes: H226,H315,H319,H335
• pcodes: P210 - P233 - P240 - P241 - P303 + P361 + P353 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Flam. Liq. 3 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 3 - Flammable liquids
• wgk_germany: WGK 3
• flash_point_f: 138.2 °F - closed cup
• flash_point_c: 59 °C - closed cup
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter