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W511501

Sigma-Aldrich

2-Methoxythiophenol

≥97%, FG

Synonym(s):

2-Mercaptoanisole, 2-Methoxybenzenethiol, Thioguaiacol

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About This Item

Linear Formula:
CH3OC6H4SH
CAS Number:
7217-59-6
Molecular Weight:
140.20
Beilstein/REAXYS Number:
2042178
EC Number:
230-605-7
MDL number:
MFCD00004834
UNSPSC Code:
12164502
Flavis number:
12.139

grade

FG

reg. compliance

EU Regulation 1334/2008 & 178/2002

assay

≥97%

refractive index

n20/D 1.591 (lit.)

bp

99 °C/8 mmHg (lit.)

density

1.152 g/mL at 25 °C (lit.)

documentation

see Safety & Documentation for available documents

food allergen

no known allergens

SMILES string

COc1ccccc1S

InChI

1S/C7H8OS/c1-8-6-4-2-3-5-7(6)9/h2-5,9H,1H3

InChI key

DSCJETUEDFKYGN-UHFFFAOYSA-N

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Other Notes

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GHS07

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Warning

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

10 - Combustible liquids

wgk_germany

WGK 3

flash_point_f

204.8 °F - closed cup

flash_point_c

96 °C - closed cup

ppe

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter

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Certificates of Analysis (COA)

Lot/Batch Number
11216BD
17703JR
17617LU
15825HR
15408EQ

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Acute toxicity of thioguaiacol and of versalide in rodents.
K R Butterworth et al.
Food and cosmetics toxicology, 19(6), 753-755 (1981-12-01)
Jennifer A Jacobsen et al.
Journal of medicinal chemistry, 54(2), 591-602 (2010-12-30)
Fragment-based lead design (FBLD) has been used to identify new metal-binding groups for metalloenzyme inhibitors. When screened at 1 mM, a chelator fragment library (CFL-1.1) of 96 compounds produced hit rates ranging from 29% to 43% for five matrix metalloproteases

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