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甲基己二酮

CAS 13706-86-0C7H12O2MW 128.17

甲基己二酮 (CAS No. 13706-86-0) is supplied by Jinan Shenghe Chemical Co., Ltd. with a typical purity of 按批次COA提供(不公开发布). Main applications include 有机化学品. Bulk quantities are available with COA; purity and packaging are subject to batch COA and order confirmation.

Product Overview

CAS Number13706-86-0
Molecular FormulaC7H12O2
Molecular Weight128.17
Boiling Point138 °C
LogP0.9
Purity按批次COA提供(不公开发布)
Packaging按订单/批次确认(不公开发布)
Applications有机化学品
Category有机化学品

Applications

有机化学品

Packaging & Storage

Packaging按订单/批次确认(不公开发布)
Purity按批次COA提供(不公开发布)
StorageSealed, cool and dry place
ShippingStandard chemical transport
SampleAvailable on request
Lead TimeIn stock / per order

Quality & Documentation

COA (Certificate of Analysis) is provided with every batch. MSDS/technical data sheets and third-party test reports are available on request. Purity and packaging are subject to batch COA and order confirmation.

Frequently Asked Questions

What is the CAS number of 甲基己二酮?

The CAS number of 甲基己二酮 is 13706-86-0.

What purity and packaging are available?

Typical purity is 按批次COA提供(不公开发布), supplied in 按订单/批次确认(不公开发布), with COA provided.

What are the applications of 甲基己二酮?

Main applications include 有机化学品.

How do I buy 甲基己二酮 or get a quote?

Email info@591daili.com or reach us on WhatsApp with the product name, CAS number and required quantity; quotes within one business day. Supplier: Jinan Shenghe Chemical Co., Ltd..

PubChem Public Data

Description

5-Methyl-2,3-hexanedione is identified by CAS 13706-86-0, molecular formula C7H12O2 and molecular weight 128.08 g/mol. UNII ZI95KZ32L4; ChEBI 173493; InChIKey PQCLJXVUAWLNSV-UHFFFAOYSA-N. Boiling Point: 138 °C; Density: 0.908 (22 °C); Refractive Index: 1.408-1.414.

Identification

CAS Registry Number13706-86-0
PubChem CID26204
Molecular formulaC7H12O2
Molecular weight128.08 g/mol
IUPAC name5-methylhexane-2,3-dione
InChIKeyPQCLJXVUAWLNSV-UHFFFAOYSA-N
UNII (FDA)ZI95KZ32L4
ChEBI IDCHEBI:173493
FEMA number3190
JECFA number414

Computed Descriptors

Molecular Weight128.17
XLogP30.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass128.083729621
Monoisotopic Mass128.083729621
Topological Polar Surface Area34.1
Heavy Atom Count9
Formal Charge0

Physical & Chemical Properties

Boiling Point138 °C
Density0.908 (22 °C)
Refractive Index1.408-1.414

Physical description & handling notes

  • yellowish liquid oil with a butter odour
  • slightly soluble in water; miscible with alcohol, propylene glycol, and glycerol
  • (in ethanol)

Regulatory Status

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

GHS Hazard Classification

Reported hazard statementsH317 (91.7%)

H317 (91.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)

Documented Uses

  • Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
  • Flavoring Agents -> JECFA Flavorings Index
  • 5-Methyl-2,3-hexanedione; 2,3-Hexanedione, 5-methyl-; Acetyl isopentanoyl
  • IFRA 51st Amendment - Guidance for the use of IFRA Standards
  • Prohibition: This material should not be used as a fragrance ingredient
  • This material should not be used as a fragrance ingredient.

Synonyms

5-Methylhexane-2,3-dione; 5-Methyl-2,3-hexanedione; 13706-86-0; Acetyl isovaleryl; 2,3-HEXANEDIONE, 5-METHYL-; Acetylisopentanoyl; Acetyl isopentanoyl; Acetylisovaleryl; 2-Methylhexa-4,5-dione; FEMA No. 3190; DTXSID7049215; EINECS 237-241-8; UNII-ZI95KZ32L4; Isobutylmethylglyoxal; BRN 1745751; ZI95KZ32L4

Frequently Asked Questions

What are the CAS number and molecular formula of 5-Methyl-2,3-hexanedione?

CAS 13706-86-0; molecular formula C7H12O2; molecular weight 128.08 g/mol.

What other names is 5-Methyl-2,3-hexanedione known by?

5-Methylhexane-2,3-dione, 5-Methyl-2,3-hexanedione, 13706-86-0, Acetyl isovaleryl, 2,3-HEXANEDIONE, 5-METHYL-, Acetylisopentanoyl.

What is the regulatory status of 5-Methyl-2,3-hexanedione?

Documented regulatory listings: EU Flavoring substances; FDA Substance added to food: FLAVOR ENHANCER, FLAVORING AGENT OR ADJUVANT; Flavoring Agents.

Is 5-Methyl-2,3-hexanedione classified as hazardous?

Hazard statements reported: H317.

What are the key physical properties of 5-Methyl-2,3-hexanedione?

Boiling Point: 138 °C; Density: 0.908 (22 °C); Refractive Index: 1.408-1.414.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.

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