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Prenylthiol

CAS 5287-45-6C5H10SMW 102.20

Prenylthiol (CAS 5287-45-6) — formula C5H10S, molecular weight 102.20; category organic chemicals.

Product Description

Prenylthiol (CAS 5287-45-6) is a organic chemicals. Its molecular formula C5H10S comprises 5 C, 10 H, 1 S atoms. Its molecular weight is about 102.20. Reported physicochemical data: boiling point around 128.00 to 135.00 °C. @ 760.00 mm Hg, LogP about 2. Organic chemicals are the largest family of carbon-based compounds, widely used across pharmaceuticals, agrochemicals, materials, cosmetics and food industries. Downstream uses span pharmaceutical ingredients, agrochemicals, dyes, solvents, surfactants, food additives and polymer materials. As a sourcing and distribution partner we help locate and compare this item across domestic and cross-border channels, arranging samples and batch orders with full COA and compliance files.

Product Overview

CAS Number5287-45-6
Molecular FormulaC5H10S
Molecular Weight102.20
Boiling Point128.00 to 135.00 °C. @ 760.00 mm Hg
LogP2
Packaging25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation)
Applicationsagrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering
CategoryOrganic Chemicals

Applications

Documented applications: agrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.

Packaging & Storage

Packaging25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation)

Technical Profile

What this product is

Prenylthiol is a carbon-based organic compound with CAS registry number 5287-45-6 and molecular formula C5H10S (molecular weight 102.20), belonging to the organic chemicals segment of chemical raw materials.

Identification

CAS number: 5287-45-6

Its molecular formula C5H10S comprises 5 C, 10 H, 1 S atoms.

Also known as: Prenylthiol · 异戊烯基硫醇 · 3-Methyl-2-buten-1-thiol · Prenyl mercaptan

Category: organic chemicals

Frequently Asked Questions

What is the CAS number of Prenylthiol?

The CAS registry number of Prenylthiol is 5287-45-6.

What is the molecular formula and molecular weight of Prenylthiol?

Molecular formula C5H10S, molecular weight 102.20.

What other names is Prenylthiol known by?

It is also registered under: Prenylthiol, 异戊烯基硫醇, 3-Methyl-2-buten-1-thiol, Prenyl mercaptan.

What are the documented applications of Prenylthiol?

Recorded applications: agrochemicals, dyes, solvents, food additives and polymer materials. As a sourcing and distribution partner we can help locate and compare this item across domestic and cross-border channels, with COA and compliance files provided before ordering.

Which category does Prenylthiol belong to?

Category: Organic Chemicals.

Packaging & documentation

Packaging is agreed per order, from lab-scale packs to bulk, and confirmed with each order rather than fixed on the page. A Certificate of Analysis (COA) ships with every batch and MSDS is available; where the end use carries a regulatory limit (food contact, pharmaceutical or cosmetic), state the standard at enquiry and the grade is set against it.

PubChem Public Data

Independent reference data for Prenylthiol (CAS 5287-45-6), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number5287-45-6
PubChem CID146586
Molecular formulaC5H10S
Molecular weight102.05 g/mol
IUPAC name3-methylbut-2-ene-1-thiol
InChIKeyGYDPOKGOQFTYGW-UHFFFAOYSA-N
UNII (FDA)FDG262156U
ChEBI IDCHEBI:169260
FEMA number3896
JECFA number522

Computed descriptors

Molecular Weight102.20
XLogP32
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count1
Exact Mass102.05032149
Monoisotopic Mass102.05032149
Topological Polar Surface Area1
Heavy Atom Count6

Physicochemical values on record

Boiling Point128.00 to 135.00 °C. @ 760.00 mm Hg
Boiling Point128-135 °C
Density0.884-0.885
Refractive Index1.483-1.493

Documented uses on record

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

Synonyms and trade names

5287-45-6; 3-methylbut-2-ene-1-thiol; Prenylthiol; 3-Methyl-2-butene-1-thiol; Prenyl mercaptan; FDG262156U; FEMA NO. 3896; DTXSID00200907; RefChem:868485; DTXCID90123398; 610-907-9; 3-methyl-2-buten-1-thiol; 1-Mercapto-3-methyl-2-butene; 2-Butene-1-thiol, 3-methyl-; 3-Methyl-1-mercapto-2-butene; 3-methyl-2-butenethiol

Regulatory listings held on file

Regulatory & Food ContactEU Flavoring substances
FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
Flavoring Agents
FLAVOURING_AGENT: Flavouring Agent
Almond, Coffee, Foxy, Spice
No safety concern at current levels of intake when used as a flavouring agent

GHS hazard classification

Reported hazard statementsH226 (100%), H302 (26.2%), H315 (75%), H319 (75%), H335 (75%)

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

H302 (26.2%): Harmful if swallowed [Warning Acute toxicity, oral]

What the public record says

Prenyl mercaptan is identified by CAS 5287-45-6, molecular formula C5H10S and molecular weight 102.05 g/mol. UNII FDG262156U; ChEBI 169260; InChIKey GYDPOKGOQFTYGW-UHFFFAOYSA-N. Boiling Point: 128.00 to 135.00 °C. @ 760.00 mm Hg; Boiling Point: 128-135 °C; Density: 0.884-0.885.

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

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