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2-Furanmethanethiol

2-Furanmethanethiol structure

CAS No:
98-02-2
Formula:
C5H6OS
Chemical Name:
2-Furanmethanethiol
Synonyms:
2-Furanmethanethiol;Furfuryl mercaptan;Furfuryl thiol;2-Furylmethyl mercaptan;2-Furylmethanethiol;2-(Mercaptomethyl)furan;(2-Furanyl)methylmercaptan;2-Furfurylmercaptan;Furan-2-ylmethanethiol;NSC 41142;2-Furfurylthiol;Furfurylthiol;2-Furylmethylthiol
Categories:
Cosmetic Ingredient > Perfuming

Description

Furfuryl mercaptan has a characteristic unpleasant odor. clear colorless to pale yellow liquid 2-Furylmethanethiol is an important constituent of the aroma of roasted coffee. It is a liquid with an unpleasant odor, which becomes like coffee when diluted.

Colourless oily liquid; extremely powerful and diffusive odour which on dilution becomes agreeable, coffee-like, caramellic-burnt, sweet

2-Furanmethanethiol is a heteroarene.

2-Furanmethanethiol Basic Attributes

Molecular Weight：

114.17

Exact Mass：

114.17

BRN：

383594

EC Number：

202-628-2

UNII：

29W096TCPG

NSC Number：

41142

DSSTox ID：

DTXSID7052654

HScode：

29321900

Characteristics

PSA：

14.1

XLogP3：

1.90

Appearance：

Clear colorless to pale yellow Liquid

Density：

1.1±0.1 g/cm3

Melting Point：

157.5 °C

Boiling Point：

157 °C

Flash Point：

113 °F

Refractive Index：

1.524

Water Solubility：

H2O: insoluble

Storage Conditions：

Flammables area

Toxicity：

Abdominal cavity-mouse LD50: 100 mg/kg

Flammability characteristics：

Open flame is flammable; high heat emits toxic sulfur oxide gas

Safety Information

Packing level：

III

Hazard category：

Transport codes：

UN 3336 3/PG 3

wgk germany：

hazard class code：

10-36/37-20/21/22

safety instructions：

23-24/25-16-36-26-7/9

RTECS Number：

LU2100000

Marks：

F,Xn

Storage features：

Treasury is ventilated at low temperature and dry; stored separately from oxidants and food additives

Precautionary statement(s)：

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, P501

Hazard Statements：

H226

GHS Classification：

|Warning|H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]|P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501|Aggregated GHS information provided by 1698 companies from 5 notifications to the ECHA C&L Inventory.|H226: Flammable liquid and vapor [Warning Flammable liquids]

Toxicity

Toxicity class：

highly toxic

Drug Information

MeSH：

Substances added to foods and medicine to improve the taste. (See all compounds classified as Flavoring Agents.)

MeSH Entry Terms：

2-furanmethanethiol

2-Furanmethanethiol Use and Manufacturing

Methods of Manufacturing

It is formed by the hydrolysis of thiourea and furfuryl chloride.

Uses

Furfuryl Mercaptam is a volatile flavor component of corn tortilla chips.

Manufacturing Info：

2-Furanmethanethiol: ACTIVE

Use Classification：

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

Food Additive Classes：

Flavoring Agents

Computed Properties

Molecular Weight:114.17
XLogP3:1.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:114.01393598
Monoisotopic Mass:114.01393598
Topological Polar Surface Area:14.1
Heavy Atom Count:7
Complexity:56
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Material

Sodium hydroxide

Sodium hydrosulfide

Formaldehyde

Ethanol

Furfuryl alcohol

Furfural

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Guide of 2-Furanmethanethiol

Description
Basic Attributes
Characteristics
Safety Information
Toxicity
Drug Information
Use and Manufacturing
Computed Properties
Material
Recommended Suppliers
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2-Furanmethanethiol

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