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Home › Product Catalog › 3-(Acetylthio)-2-methylfuran

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.

Specifications

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

Where it is used

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.

Purchase 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

Public-database records for 3-(Acetylthio)-2-methylfuran (CAS 55764-25-5), reproduced here for independent cross-checking.

Safety classification and hazard statements

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]

Regulatory listings

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)

Physical description and handling notes

  • Brownish liquid; roasted meat aroma
  • Insoluble in water,slightly soluble in heptane, soluble in tri-acetin
  • Miscible at room temperature (in ethanol)

Reported physical properties

沸点222.00 to 224.00 °C. @ 760.00 mm Hg
沸点222-224 °C
密度1.140-1.159
折射率1.444-1.451

How this substance is indexed

CAS Registry Number55764-25-5
PubChem CID108765
分子式C7H8O2S
分子量156.03 g/mol
IUPAC 名称S-(2-methylfuran-3-yl) ethanethioate
InChIKeyPQFIBPDAGFGLBY-UHFFFAOYSA-N
UNII（FDA）7277JEE7AF
ChEBI 编号CHEBI:173663
FEMA 编号3973
JECFA 编号1069

Documented uses

  • Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
  • Flavoring Agents -> JECFA Flavorings Index
  • Ethanethioic acid, S-(2-methyl-3-furanyl) ester: ACTIVE

Names this substance appears under

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

Computed molecular descriptors

分子量156.20
XLogP31.7
氢键供体数0
氢键受体数3
可旋转键数2
精确质量156.02450067
单同位素质量156.02450067
拓扑极性表面积55.5
重原子数10
形式电荷0

Database abstract

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. 沸点: 222.00 to 224.00 °C. @ 760.00 mm Hg; 沸点: 222-224 °C; 密度: 1.140-1.159.

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

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