糠基硫代甲酸酯

Description

Furfurylthiol formate is identified by CAS 59020-90-5, molecular formula C6H6O2S and molecular weight 142.01 g/mol. UNII JK1M930RJC; ChEBI 173596; InChIKey GFAOAYJTEVHTLA-UHFFFAOYSA-N. Boiling Point: 66.00 °C. @ 15.00 mm Hg; Boiling Point: 80-87 °C (10mmHg); Density: 1.213-1.223 (20 °C).

Identification

CAS Registry Number	59020-90-5
PubChem CID	62144
Molecular formula	C6H6O2S
Molecular weight	142.01 g/mol
IUPAC name	S-(furan-2-ylmethyl) methanethioate
InChIKey	GFAOAYJTEVHTLA-UHFFFAOYSA-N
UNII (FDA)	JK1M930RJC
ChEBI ID	CHEBI:173596
FEMA number	3158
JECFA number	1073

Computed Descriptors

Molecular Weight	142.18
XLogP3	1.3
Hydrogen Bond Donor Count	0
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
Formal Charge	0

Physical & Chemical Properties

Boiling Point	66.00 °C. @ 15.00 mm Hg
Boiling Point	80-87 °C (10mmHg)
Density	1.213-1.223 (20 °C)
Refractive Index	1.539-1.549

Physical description & handling notes

• Colourless to dark brown liquid; coffee-like odour and taste in dilutions strong sulfuraceous
• Insoluble in water,soluble in organic solvents, fats
• Miscible at room temperature (in ethanol)

Regulatory Status

Regulatory & Food Contact	EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Savory No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	6.5% (90 / 1376)

GHS Hazard Classification

GHS notification summary	6.5% (90 / 1376)
Reported hazard statements	H302 (93.5%)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index
• Methanethioic acid, S-(2-furanylmethyl) ester: ACTIVE

Synonyms

59020-90-5; 2-Furanmethanethiol formate; S-Furfuryl Thioformate; S-(2-Furanylmethyl) methanethioate; Furfurylthiol formate; Furfuryl mercaptan formate; S-(2-Furylmethyl) methanethioate; Methanethioic acid, S-(2-furanylmethyl) ester; FEMA No. 3158; 3-(2-Furanylmethyl) methanethioate; JK1M930RJC; Methanethioic acid, 3-(2-furanylmethyl) ester; EINECS 261-563-8; DTXSID8069301; [(furan-2-ylmethyl)sulfanyl]carbaldehyde; 2-FURANMETHANETHIOL FORMATE [FHFI]

Frequently Asked Questions

What are the CAS number and molecular formula of Furfurylthiol formate?

CAS 59020-90-5; molecular formula C6H6O2S; molecular weight 142.01 g/mol.

What other names is Furfurylthiol formate known by?

59020-90-5, 2-Furanmethanethiol formate, S-Furfuryl Thioformate, S-(2-Furanylmethyl) methanethioate, Furfurylthiol formate, Furfuryl mercaptan formate.

What is the regulatory status of Furfurylthiol formate?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is Furfurylthiol formate classified as hazardous?

6.5% of GHS notifications report no hazard classification (90 of 1376).

What are the key physical properties of Furfurylthiol formate?

Boiling Point: 66.00 °C. @ 15.00 mm Hg; Boiling Point: 80-87 °C (10mmHg); Density: 1.213-1.223 (20 °C); Refractive Index: 1.539-1.549.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.