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3-(Acetylthio)-2-methylfuran

CAS 55764-25-5C7H8O2SMW 156.03 g/mol

3-(Acetylthio)-2-methylfuran (CAS 55764-25-5) — formula C7H8O2S, molecular weight 156.03 g/mol.

Product Overview

CAS Number55764-25-5
Molecular FormulaC7H8O2S
Molecular Weight156.03 g/mol
Boiling Point222.00 to 224.00 °C. @ 760.00 mm Hg
LogP1.7
ApplicationsUse Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: Ethanethioic acid, S-(2-methyl-3-furanyl) ester: ACTIVE

Applications

Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: Ethanethioic acid, S-(2-methyl-3-furanyl) ester: ACTIVE.

Technical Profile

What this product is

3-(Acetylthio)-2-methylfuran is a chemical compound with CAS registry number 55764-25-5 and molecular formula C7H8O2S (molecular weight 156.03 g/mol).

Identification

CAS number: 55764-25-5

Its molecular formula C7H8O2S comprises 7 C, 8 H, 2 O, 1 S atoms.

Also known as: 3-(Acetylthio)-2-methylfuran · 3-Acetylthio-2-Methylfuran

Frequently Asked Questions

What is the CAS number of 3-(Acetylthio)-2-methylfuran?

The CAS registry number of 3-(Acetylthio)-2-methylfuran is 55764-25-5.

What is the molecular formula and molecular weight of 3-(Acetylthio)-2-methylfuran?

Molecular formula C7H8O2S, molecular weight 156.03 g/mol.

What other names is 3-(Acetylthio)-2-methylfuran known by?

It is also registered under: 3-(Acetylthio)-2-methylfuran, 3-Acetylthio-2-Methylfuran.

What are the documented applications of 3-(Acetylthio)-2-methylfuran?

Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, General Manufacturing Information: Ethanethioic acid, S-(2-methyl-3-furanyl) ester: ACTIVE.

PubChem Public Data

Independent reference data for 3-(Acetylthio)-2-methylfuran (CAS 55764-25-5), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number55764-25-5
PubChem CID108765
Molecular formulaC7H8O2S
Molecular weight156.03 g/mol
IUPAC nameS-(2-methylfuran-3-yl) ethanethioate
InChIKeyPQFIBPDAGFGLBY-UHFFFAOYSA-N
UNII (FDA)7277JEE7AF
ChEBI IDCHEBI:173663
FEMA number3973
JECFA number1069

Computed descriptors

Molecular Weight156.20
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass156.02450067
Monoisotopic Mass156.02450067
Topological Polar Surface Area55.5
Heavy Atom Count10

Physicochemical values on record

Boiling Point222.00 to 224.00 °C. @ 760.00 mm Hg
Boiling Point222-224 °C
Density1.140-1.159
Refractive Index1.444-1.451

Documented uses on record

    Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional ClassesFlavoring Agents -> JECFA Flavorings Index

    Synonyms and trade names

    55764-25-5; 3-(Acetylthio)-2-methylfuran; 2-Methyl-3-furanthiol acetate; S-(2-Methyl-3-furyl) ethanethioate; Ethanethioic acid, S-(2-methyl-3-furanyl) ester; 7277JEE7AF; S-(2-methyl-3-furyl) ethane thioate; DTXSID5069047; FEMA NO. 3973; 1-[(2-methylfuran-3-yl)sulfanyl]ethan-1-one; 2-METHYL-3-THIOACETOXYFURAN; EINECS 259-801-0; ETHANETHIOIC ACID, S-(2-METHYL-3-FURANYL) ESTER [FHFI]; 1-((2-methylfuran-3-yl)sulfanyl)ethan-1-one; RefChem:493981; DTXCID7041960

    Regulatory listings held on file

    Regulatory & Food ContactFDA Substance added to food: FLAVORING AGENT OR ADJUVANT
    FLAVOURING_AGENT: Flavouring Agent
    Flavoring Agents
    No safety concern at current levels of intake when used as a flavouring agent
    Secondary components do not raise a safety concern
    TRS 913-JECFA 59/81, 111
    GHS notification summary0.1% (1 / 1442)

    GHS hazard classification

    GHS notification summary0.1% (1 / 1442)
    Reported hazard statementsH315 (99.9%), H319 (95.5%), H335 (94.3%)

    This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1442) of reports.

    H315 (99.9%): Causes skin irritation [Warning Skin corrosion/irritation]

    What the public record says

    3-(Acetylthio)-2-methylfuran is identified by CAS 55764-25-5, molecular formula C7H8O2S and molecular weight 156.03 g/mol. UNII 7277JEE7AF; ChEBI 173663; InChIKey PQFIBPDAGFGLBY-UHFFFAOYSA-N. Boiling Point: 222.00 to 224.00 °C. @ 760.00 mm Hg; Boiling Point: 222-224 °C; Density: 1.140-1.159.

    Physical description and handling notes

    Source: PubChem / Wikidata; the batch COA governs where values differ.

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