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S-(2-Furanylmethyl) methanethioate

S-(2-Furanylmethyl) methanethioate structure

CAS No:
59020-90-5
Formula:
C6H6O2S
Chemical Name:
S-(2-Furanylmethyl) methanethioate
Synonyms:
Methanethioic acid,S-(2-furanylmethyl) ester;S-(2-Furanylmethyl) methanethioate
Categories:
Flavors and Fragrances > Synthetic Fragrances

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Description

Colourless to dark brown liquid; coffee-like odour and taste in dilutions strong sulfuraceous

S-(2-Furanylmethyl) methanethioate is a heteroarene.

S-(2-Furanylmethyl) methanethioate Basic Attributes

Molecular Weight：

142.18

Exact Mass：

142.18

EC Number：

261-563-8

UNII：

JK1M930RJC

DSSTox ID：

DTXSID8069301

HScode：

2932190090

Characteristics

PSA：

55.5

XLogP3：

1.55

Density：

1.2±0.1 g/cm3

Boiling Point：

66 °C15 mm Hg(lit.)

Flash Point：

>230 °F

Refractive Index：

1.536

Water Solubility：

5723 mg/L @ 25 °C (est)|Insoluble in water,soluble in organic solvents, fats|Miscible at room temperature (in ethanol)

Safety Information

Transport codes：

UN 3334

wgk germany：

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 1375 companies from 2 notifications to the ECHA C&L Inventory.

S-(2-Furanylmethyl) methanethioate Use and Manufacturing

Uses

Used as food flavor

Manufacturing Info：

Methanethioic acid, S-(2-furanylmethyl) ester: ACTIVE

Use Classification：

Food additives -> Flavoring Agents|Flavoring Agents -> JECFA Flavorings Index

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:142.18
XLogP3:1.3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:142.00885060
Monoisotopic Mass:142.00885060
Topological Polar Surface Area:55.5
Heavy Atom Count:9
Complexity:95.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of S-(2-Furanylmethyl) methanethioate

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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S-(2-Furanylmethyl) methanethioate

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