硫代乙酸糠酯

Description

FURFURYL THIOACETATE is identified by CAS 13678-68-7, molecular formula C7H8O2S and molecular weight 156.03 g/mol. UNII 04ZX16701F; ChEBI 173665; InChIKey LQOUTUIIYXYBQW-UHFFFAOYSA-N. Boiling Point: 90.00 to 92.00 °C. @ 12.00 mm Hg; Boiling Point: 90-92 °C (12 mm Hg); Density: 1.149-1.155 (20 °C).

Identification

CAS Registry Number	13678-68-7
PubChem CID	61660
Molecular formula	C7H8O2S
Molecular weight	156.03 g/mol
IUPAC name	S-(furan-2-ylmethyl) ethanethioate
InChIKey	LQOUTUIIYXYBQW-UHFFFAOYSA-N
UNII (FDA)	04ZX16701F
ChEBI ID	CHEBI:173665
FEMA number	3162
JECFA number	1074

Computed Descriptors

Molecular Weight	156.20
XLogP3	1.3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	156.02450067
Monoisotopic Mass	156.02450067
Topological Polar Surface Area	55.5
Heavy Atom Count	10
Formal Charge	0

Physical & Chemical Properties

Boiling Point	90.00 to 92.00 °C. @ 12.00 mm Hg
Boiling Point	90-92 °C (12 mm Hg)
Density	1.149-1.155 (20 °C)
Refractive Index	1.522-1.529

Physical description & handling notes

• Oily liquid; burnt, roasted, alliaceous, garlic, savory, coffee-like
• 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 Roast No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary	9.1% (137 / 1503)

GHS Hazard Classification

GHS notification summary	9.1% (137 / 1503)
Reported hazard statements	H315 (89.2%), H319 (89.2%), H335 (89%)

Documented Uses

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

Synonyms

Furfuryl thioacetate; S-Furfuryl thioacetate; 13678-68-7; Furfurylthiol acetate; Ethanethioic acid, S-(2-furanylmethyl) ester; S-Furfuryl ethanethioate; FEMA No. 3162; S-(2-Furanylmethyl) ethanethioate; DTXSID5047661; EINECS 237-173-9; UNII-04ZX16701F; S-(2-Furylmethyl) ethanethioate; Ethanethioic Acid S-(2-Furanylmethyl) Ester; 04ZX16701F; FURFURYL THIOL ACETATE; DTXCID3027661

Frequently Asked Questions

What are the CAS number and molecular formula of FURFURYL THIOACETATE?

CAS 13678-68-7; molecular formula C7H8O2S; molecular weight 156.03 g/mol.

What other names is FURFURYL THIOACETATE known by?

Furfuryl thioacetate, S-Furfuryl thioacetate, 13678-68-7, Furfurylthiol acetate, Ethanethioic acid, S-(2-furanylmethyl) ester, S-Furfuryl ethanethioate.

What is the regulatory status of FURFURYL THIOACETATE?

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

Is FURFURYL THIOACETATE classified as hazardous?

9.1% of GHS notifications report no hazard classification (137 of 1503).

What are the key physical properties of FURFURYL THIOACETATE?

Boiling Point: 90.00 to 92.00 °C. @ 12.00 mm Hg; Boiling Point: 90-92 °C (12 mm Hg); Density: 1.149-1.155 (20 °C); Refractive Index: 1.522-1.529.

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.