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Methyl 3-methyl-1-butenyl disulfide

CAS 233666-09-6C6H12S2MW 148.04 g/mol

Methyl 3-methyl-1-butenyl disulfide (CAS 233666-09-6) — formula C6H12S2, molecular weight 148.04 g/mol; category food flavors.

Product Description

Methyl 3-methyl-1-butenyl disulfide (CAS 233666-09-6) is a food flavors. Its molecular formula C6H12S2 comprises 6 C, 12 H, 2 S atoms. Its molecular weight is about 148.04 g/mol. Reported physicochemical data: boiling point around 86-87 °C (21 mm Hg), LogP about 2.4. Flavors are used to provide or enhance aroma in food and beverages, and must comply with food flavoring regulations. Widely used in beverages, confectionery, baking, dairy and convenience foods to build or complement flavor profiles. 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 Number233666-09-6
Molecular FormulaC6H12S2
Molecular Weight148.04 g/mol
Boiling Point86-87 °C (21 mm Hg)
LogP2.4
Packaging25/50kg woven bags, 20/25/50kg fibre drums, 200kg plastic drums, 1000kg IBC (subject to order confirmation)
Applicationsconfectionery, baking, dairy and convenience foods to build or complement flavor profiles. 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
CategoryFlavors

Applications

Documented applications: confectionery, baking, dairy and convenience foods to build or complement flavor profiles. 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

Methyl 3-methyl-1-butenyl disulfide is a flavoring compound with CAS registry number 233666-09-6 and molecular formula C6H12S2 (molecular weight 148.04 g/mol), belonging to the food flavors segment of chemical raw materials.

Identification

CAS number: 233666-09-6

Its molecular formula C6H12S2 comprises 6 C, 12 H, 2 S atoms.

Also known as: Methyl 3-methyl-1-butenyl disulfide · 甲基3-甲基-1-丁烯基二硫醚

Category: food flavors

Frequently Asked Questions

What is the CAS number of Methyl 3-methyl-1-butenyl disulfide?

The CAS registry number of Methyl 3-methyl-1-butenyl disulfide is 233666-09-6.

What is the molecular formula and molecular weight of Methyl 3-methyl-1-butenyl disulfide?

Molecular formula C6H12S2, molecular weight 148.04 g/mol.

What other names is Methyl 3-methyl-1-butenyl disulfide known by?

It is also registered under: Methyl 3-methyl-1-butenyl disulfide, 甲基3-甲基-1-丁烯基二硫醚.

What are the documented applications of Methyl 3-methyl-1-butenyl disulfide?

Recorded applications: confectionery, baking, dairy and convenience foods to build or complement flavor profiles. 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 Methyl 3-methyl-1-butenyl disulfide belong to?

Category: Flavors.

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 Methyl 3-methyl-1-butenyl disulfide (CAS 233666-09-6), compiled from public chemistry databases.

Registry identifiers across databases

CAS Registry Number233666-09-6
PubChem CID71587664
Molecular formulaC6H12S2
Molecular weight148.04 g/mol
IUPAC name(E)-3-methyl-1-(methyldisulfanyl)but-1-ene
InChIKeyNNYHMALQRVQTNK-SNAWJCMRSA-N
UNII (FDA)U10N85EV9D
ChEBI IDCHEBI:173629
FEMA number3865
JECFA number571

Computed descriptors

Molecular Weight148.3
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass148.03804273
Monoisotopic Mass148.03804273
Topological Polar Surface Area50.6
Heavy Atom Count8

Physicochemical values on record

Boiling Point86-87 °C (21 mm Hg)
Density0.830-0.835
Refractive Index1.380-1.390

Documented uses on record

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

Synonyms and trade names

METHYL 3-METHYL-1-BUTENYL DISULFIDE; FEMA no. 3865; Disulfide, methyl 3-methyl-1-butenyl; U10N85EV9D; 233666-09-6; METHYL 3-METHYL-1-BUTENYL DISULFIDE [FHFI]; RefChem:815555; UNII-U10N85EV9D; SCHEMBL18339137; FEMA 3865; 2-Methyl-5,6-dithia-3-heptene; CHEBI:173629; (E)-3-methyl-1-(methyldisulanyl)but-1-ene; Q27290539

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 896-JECFA 53/32

What the public record says

Methyl 3-methyl-1-butenyl disulfide is identified by CAS 233666-09-6, molecular formula C6H12S2 and molecular weight 148.04 g/mol. UNII U10N85EV9D; ChEBI 173629; InChIKey NNYHMALQRVQTNK-SNAWJCMRSA-N. Boiling Point: 86-87 °C (21 mm Hg); Density: 0.830-0.835; Refractive Index: 1.380-1.390.

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

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Supplier: Jinan Shenghe Chemical Co., Ltd.

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