3-[(2-甲基-3-呋喃基)硫代]丁醛

Description

3-[(2-Methyl-3-Furanyl)Thio] Butanal · CAS 915971-43-6 · C9H12O2S. UNII YW47186L5A. Boiling Point: 197-198 °C (decomposition); Density: 1.101-1.121; Refractive Index: 1.515-1.522.

Identification

CAS Registry Number	915971-43-6
PubChem CID	71587866
Molecular formula	C9H12O2S
IUPAC name	3-(2-methylfuran-3-yl)sulfanylbutanal
UNII (FDA)	YW47186L5A
FEMA number	4501
JECFA number	2095

Computed Descriptors

Molecular Weight	184.26
XLogP3	1.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	184.05580079
Monoisotopic Mass	184.05580079
Topological Polar Surface Area	55.5
Heavy Atom Count	12
Formal Charge	0

Physical & Chemical Properties

Boiling Point	197-198 °C (decomposition)
Density	1.101-1.121
Refractive Index	1.515-1.522

Physical description & handling notes

• Yellow to light orange liquid; Meaty roasted aroma
• Practically insoluble to insoluble in water
• Soluble (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 Hazard Classification

Reported hazard statements	H302 (100%), H318 (100%), H330 (100%), H341 (100%)

Documented Uses

• Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
• Flavoring Agents -> JECFA Flavorings Index

Synonyms

Methyl thiofuryl butanal; FEMA No. 4501; 3-((2-Methyl-3-furyl)thio)butanal; UNII-YW47186L5A; 3-((2-Methyl-3-furyl)sulfanyl)butanal; YW47186L5A; Butanal, 3-((2-methyl-3-furanyl)thio)-; 915971-43-6; (+-)-3-((2-Methyl-3-furyl)thio)butanal; 3-((2-Methyl-3-furyl)thio)butanal, (+-)-; 3-((2-METHYL-3-FURANYL)THIO)BUTANAL; 3-[(2-methyl-3-furyl)thio]butanal; RefChem:91983; 3-(Methyl furan-3-yl)sulfanyl(2-butanal); SCHEMBL920490; DTXSID10919634

Frequently Asked Questions

What are the CAS number and molecular formula of 3-[(2-Methyl-3-Furanyl)Thio] Butanal?

CAS 915971-43-6; molecular formula C9H12O2S; molecular weight — g/mol.

What other names is 3-[(2-Methyl-3-Furanyl)Thio] Butanal known by?

Methyl thiofuryl butanal, FEMA No. 4501, 3-((2-Methyl-3-furyl)thio)butanal, UNII-YW47186L5A, 3-((2-Methyl-3-furyl)sulfanyl)butanal, YW47186L5A.

What is the regulatory status of 3-[(2-Methyl-3-Furanyl)Thio] Butanal?

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

Is 3-[(2-Methyl-3-Furanyl)Thio] Butanal classified as hazardous?

Hazard statements reported: H302, H318, H330, H341.

What are the key physical properties of 3-[(2-Methyl-3-Furanyl)Thio] Butanal?

Boiling Point: 197-198 °C (decomposition); Density: 1.101-1.121; Refractive Index: 1.515-1.522.

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.