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1-(3-Hydroxy-5-methyl-2-thienyl)ethanone

CAS 133860-42-1C7H8O2SMW 156.03 g/mol

1-(3-Hydroxy-5-methyl-2-thienyl)ethanone (CAS 133860-42-1) — formula C7H8O2S, molecular weight 156.03 g/mol.

Product Overview

CAS Number133860-42-1
Molecular FormulaC7H8O2S
Molecular Weight156.03 g/mol
Melting Point73.00 to 76.00 °C. @ 760.00 mm Hg
Boiling Point268.00 to 269.00 °C. @ 760.00 mm Hg
LogP2.2

Technical Profile

What this product is

1-(3-Hydroxy-5-methyl-2-thienyl)ethanone is a chemical compound with CAS registry number 133860-42-1 and molecular formula C7H8O2S (molecular weight 156.03 g/mol).

Identification

CAS number: 133860-42-1

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

Also known as: 1-(3-Hydroxy-5-methyl-2-thienyl)ethanone · 1-(3-羟基-5-甲基-2-噻吩基)乙酮

Frequently Asked Questions

What is the CAS number of 1-(3-Hydroxy-5-methyl-2-thienyl)ethanone?

The CAS registry number of 1-(3-Hydroxy-5-methyl-2-thienyl)ethanone is 133860-42-1.

What is the molecular formula and molecular weight of 1-(3-Hydroxy-5-methyl-2-thienyl)ethanone?

Molecular formula C7H8O2S, molecular weight 156.03 g/mol.

What other names is 1-(3-Hydroxy-5-methyl-2-thienyl)ethanone known by?

It is also registered under: 1-(3-Hydroxy-5-methyl-2-thienyl)ethanone, 1-(3-羟基-5-甲基-2-噻吩基)乙酮.

PubChem Public Data

Independent reference data for 1-(3-Hydroxy-5-methyl-2-thienyl)ethanone (CAS 133860-42-1), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number133860-42-1
PubChem CID14837639
Molecular formulaC7H8O2S
Molecular weight156.03 g/mol
IUPAC name1-(3-hydroxy-5-methylthiophen-2-yl)ethanone
InChIKeyIOOPSZCABYNBDZ-UHFFFAOYSA-N
UNII (FDA)U0W0KQ1EET
ChEBI IDCHEBI:173664
FEMA number4142
JECFA number1750

Computed descriptors

Molecular Weight156.20
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass156.02450067
Monoisotopic Mass156.02450067
Topological Polar Surface Area65.5
Heavy Atom Count10

Physicochemical values on record

Boiling Point268.00 to 269.00 °C. @ 760.00 mm Hg
Melting Point73.00 to 76.00 °C. @ 760.00 mm Hg

Documented uses on record

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

Synonyms and trade names

133860-42-1; 1-(3-Hydroxy-5-methyl-2-thienyl)ethanone; FEMA no. 4142; UNII-U0W0KQ1EET; U0W0KQ1EET; Ethanone, 1-(3-hydroxy-5-methyl-2-thienyl)-; 1-(3-Hydroxy-5-methyl-2-thienyl)ethanone [FHFI]; RefChem:74330; 1-(3-Hydroxy-5-methylthiophen-2-yl)ethanone; 1-(3-hydroxy-5-methylthiophen-2-yl)ethan-1-one; Ethanone, 1-(3-hydroxy-5-methyl-2-thienyl)- (9CI); 1-(3-hydroxy-5-methyl-2-thienyl) ethanone; SCHEMBL8929358; DTXSID60928296; CHEBI:173664; DB-276061

Regulatory listings held on file

Regulatory & Food ContactFDA Substance added to food: FLAVORING AGENT OR ADJUVANT
FLAVOURING_AGENT: Flavouring Agent
Flavoring Agents
Savory
No safety concern at current levels of intake when used as a flavouring agent
TRS 947-JECFA68/

What the public record says

1-(3-Hydroxy-5-methyl-2-thienyl)ethanone is identified by CAS 133860-42-1, molecular formula C7H8O2S and molecular weight 156.03 g/mol. UNII U0W0KQ1EET; ChEBI 173664; InChIKey IOOPSZCABYNBDZ-UHFFFAOYSA-N. Boiling Point: 268.00 to 269.00 °C. @ 760.00 mm Hg; Melting Point: 73.00 to 76.00 °C. @ 760.00 mm Hg.

Physical description and handling notes

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

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