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650633

Sigma-Aldrich

Methyl 3-oxotetrahydrothiophene-2-carboxylate

96%

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About This Item

Empirical Formula (Hill Notation):
C6H8O3S
CAS Number:
2689-69-2
Molecular Weight:
160.19
EC Number:
220-257-4
MDL number:
MFCD00156156
UNSPSC Code:
12352100
PubChem Substance ID:
24883767
NACRES:
NA.22

Quality Level

100

Assay

96%

form

solid

refractive index

n20/D 1.511 (lit.)

bp

232-254 °C/0.1 mmHg (lit.)

mp

38 °C (lit.)

density

1.281 g/mL at 1.281 °C (lit.)

functional group

ester
ketone
thioether

storage temp.

2-8°C

SMILES string

COC(=O)C1SCCC1=O

InChI

1S/C6H8O3S/c1-9-6(8)5-4(7)2-3-10-5/h5H,2-3H2,1H3

InChI key

TUSSXVYKOOVOID-UHFFFAOYSA-N

Pictograms

Exclamation mark
GHS07

Signal Word

Warning

Hazard Statements

H302,H319

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2

Storage Class Code

11 - Combustible Solids

WGK

WGK 3

Flash Point(F)

>229.8 °F

Flash Point(C)

> 109.9 °C

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
MKBN5445V
MKBG4472V
MKBF6865V
MKBB1744
03309KH

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