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Ethyl 3-mercaptopropionate

CAS 5466-06-8C5H10O2SMW 134.04 g/mol

Ethyl 3-mercaptopropionate (CAS 5466-06-8) — formula C5H10O2S, molecular weight 134.04 g/mol; category organic chemicals.

Product Overview

CAS Number5466-06-8
Molecular FormulaC5H10O2S
Molecular Weight134.04 g/mol
Boiling Point75.00 to 76.00 °C. @ 10.00 mm Hg
LogP0.7
CategoryOrganic Chemicals

Technical Profile

What this product is

Ethyl 3-mercaptopropionate is a carbon-based organic compound with CAS registry number 5466-06-8 and molecular formula C5H10O2S (molecular weight 134.04 g/mol), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 5466-06-8

Its molecular formula C5H10O2S comprises 5 C, 10 H, 2 O, 1 S atoms.

Also known as: Ethyl 3-mercaptopropionate · 3-巯基丙酸乙酯

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of Ethyl 3-mercaptopropionate?

The CAS registry number of Ethyl 3-mercaptopropionate is 5466-06-8.

What is the molecular formula and molecular weight of Ethyl 3-mercaptopropionate?

Molecular formula C5H10O2S, molecular weight 134.04 g/mol.

What other names is Ethyl 3-mercaptopropionate known by?

It is also registered under: Ethyl 3-mercaptopropionate, 3-巯基丙酸乙酯.

Which category does Ethyl 3-mercaptopropionate belong to?

Category: Organic Chemicals.

PubChem Public Data

Independent reference data for Ethyl 3-mercaptopropionate (CAS 5466-06-8), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number5466-06-8
PubChem CID21625
Molecular formulaC5H10O2S
Molecular weight134.04 g/mol
IUPAC nameethyl 3-sulfanylpropanoate
InChIKeyCJQWLNNCQIHKHP-UHFFFAOYSA-N
UNII (FDA)22GQZ8P70D
ChEBI IDCHEBI:173554
FEMA number3677
JECFA number553

Computed descriptors

Molecular Weight134.20
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass134.04015073
Monoisotopic Mass134.04015073
Topological Polar Surface Area27.3
Heavy Atom Count8

Physicochemical values on record

Boiling Point75.00 to 76.00 °C. @ 10.00 mm Hg
Boiling Point162 °C
Refractive Index1.454-1.460

Documented uses on record

    Used as a flavoring agent; [FDA]Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

    Synonyms and trade names

    ETHYL 3-MERCAPTOPROPIONATE; 5466-06-8; Ethyl 3-mercaptopropanoate; 3-Mercaptopropanoic acid ethyl ester; Propanoic acid, 3-mercapto-, ethyl ester; Ethyl beta-mercaptopropionate; Propionic acid, 3-mercapto-, ethyl ester; FEMA No. 3677; 22GQZ8P70D; NSC-25754; DTXSID7063922; RefChem:595003; DTXCID0041771; 226-771-5; Ethyl 3-sulfanylpropanoate; 3-Mercaptopropionic Acid Ethyl Ester

    Regulatory listings held on file

    Regulatory & Food ContactEU Flavoring substances
    FDA Substance added to food: FLAVOR ENHANCER, 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 notification summary0.8% (11 / 1442)

    GHS hazard classification

    GHS notification summary0.8% (11 / 1442)
    Reported hazard statementsH315 (99.2%), H319 (99.2%), H335 (99.2%)

    This chemical does not meet GHS hazard criteria for 0.8% (11 of 1442) of reports.

    H315 (99.2%): Causes skin irritation [Warning Skin corrosion/irritation]

    What the public record says

    Ethyl 3-mercaptopropionate is identified by CAS 5466-06-8, molecular formula C5H10O2S and molecular weight 134.04 g/mol. UNII 22GQZ8P70D; ChEBI 173554; InChIKey CJQWLNNCQIHKHP-UHFFFAOYSA-N. Boiling Point: 75.00 to 76.00 °C. @ 10.00 mm Hg; Boiling Point: 162 °C; Refractive Index: 1.454-1.460.

    Physical description and handling notes

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

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