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3,4-Hexanedione

CAS 4437-51-8C6H10O2MW 114.07 g/mol

3,4-Hexanedione (CAS No. 4437-51-8) 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 Organic Chemicals;Flavors. Bulk quantities are available with COA; purity and packaging are subject to batch COA and order confirmation.

Specifications

CAS Number4437-51-8
Molecular FormulaC6H10O2
Molecular Weight114.07 g/mol
Melting Point-10 °C
Boiling Point123.00 to 125.00 °C. @ 760.00 mm Hg
LogP0.5
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)
ApplicationsOrganic Chemicals;Flavors
CategoryOrganic Chemicals|Flavors

Where it is used

Organic Chemicals;Flavors

Packaging & Supply

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
Lead TimeIn stock / per order

Documents & Support

COA provided with every batch; MSDS and technical documents available on request. Email us with product name and CAS number for a quote within one business day.

Frequently Asked Questions

What is the CAS number of 3,4-Hexanedione?

The CAS number of 3,4-Hexanedione is 4437-51-8.

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 3,4-Hexanedione?

Main applications include Organic Chemicals;Flavors.

How do I buy 3,4-Hexanedione 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

3,4-Hexanedione is identified by CAS 4437-51-8, molecular formula C6H10O2 and molecular weight 114.07 g/mol. UNII 4M4NPR5VGD; ChEBI 88652; InChIKey KVFQMAZOBTXCAZ-UHFFFAOYSA-N. Boiling Point: 123.00 to 125.00 °C. @ 760.00 mm Hg; Boiling Point: 130 °C; Melting Point: -10 °C.

Identification

CAS Registry Number4437-51-8
PubChem CID62539
Molecular formulaC6H10O2
Molecular weight114.07 g/mol
IUPAC namehexane-3,4-dione
InChIKeyKVFQMAZOBTXCAZ-UHFFFAOYSA-N
UNII (FDA)4M4NPR5VGD
ChEBI IDCHEBI:88652
FEMA number3168
JECFA number413

Computed Descriptors

Molecular Weight114.14
XLogP30.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass114.068079557
Monoisotopic Mass114.068079557
Topological Polar Surface Area34.1
Heavy Atom Count8
Formal Charge0

Physical & Chemical Properties

Boiling Point123.00 to 125.00 °C. @ 760.00 mm Hg
Boiling Point130 °C
Melting Point-10 °C
Density0.941-0.950 (20 °C)
Refractive Index1.408-1.413

Physical description & handling notes

  • Liquid
  • yellow oil
  • slightly
  • almost insoluble in water; soluble in alcohol and oils; very soluble in propylene glycol
  • (in ethanol)
  • 181.1 Ų [M+Na]+ [CCS Type: DT; Buffer gas: N2; Ionization: ESI+; Dataset: TOXCAST; Source Identifier: DTXSID3047681]

Regulatory Status

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

GHS Hazard Classification

Reported hazard statementsH226 (100%), H315 (94.9%), H319 (94.9%), H331 (94.9%)

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

H315 (94.9%): Causes skin irritation [Warning Skin corrosion/irritation]

Documented Uses

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

Synonyms

3,4-HEXANEDIONE; 4437-51-8; hexane-3,4-dione; Diethyl diketone; 3,4-hexane dione; 3,4-hexandione; CCRIS 6295; DTXSID3047681; UNII-4M4NPR5VGD; 4M4NPR5VGD; EINECS 224-651-7; NSC 23255; NSC-23255; DTXCID1027681; 3,4-HEXANEDIONE [FHFI]; RefChem:91251

Frequently Asked Questions

What are the CAS number and molecular formula of 3,4-Hexanedione?

CAS 4437-51-8; molecular formula C6H10O2; molecular weight 114.07 g/mol.

What other names is 3,4-Hexanedione known by?

3,4-HEXANEDIONE, 4437-51-8, hexane-3,4-dione, Diethyl diketone, 3,4-hexane dione, 3,4-hexandione.

What is the regulatory status of 3,4-Hexanedione?

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

Is 3,4-Hexanedione classified as hazardous?

Hazard statements reported: H226, H315, H319, H331.

What are the key physical properties of 3,4-Hexanedione?

Boiling Point: 123.00 to 125.00 °C. @ 760.00 mm Hg; Boiling Point: 130 °C; Melting Point: -10 °C; Density: 0.941-0.950 (20 °C).

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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