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Butan-3-one-2-yl butanoate

CAS 84642-61-5C8H14O3MW 158.09 g/mol

Butan-3-one-2-yl butanoate,CAS 登记号 84642-61-5,由济南圣和化工有限公司现货供应,可提供纯度 按批次COA提供(不公开发布) 的规格,下游主要用于Flavors。支持样品与小批量试用,批量价格请联系我们获取,验收以批次 COA 为准。

规格参数

CAS号84642-61-5
分子式C8H14O3
分子量158.09 g/mol
沸点76 °C (11 mm Hg)
LogP1.1
纯度按批次COA提供(不公开发布)
包装按订单/批次确认(不公开发布)
应用领域Flavors
类别Flavors

用途与场景

Flavors

包装与供货

包装规格按订单/批次确认(不公开发布)
纯度规格按批次COA提供(不公开发布)
储存条件密封、阴凉干燥处保存
供货周期现货/按订单安排

文件与支持

每批随货提供 COA;可按需提供 MSDS 及技术文件。邮件注明产品名称与 CAS 号,一个工作日内回复报价。

常见问题

在哪里能查到 Butan-3-one-2-yl butanoate 的 CAS 号?

本页已列出 Butan-3-one-2-yl butanoate 的 CAS 号:84642-61-5,可与随货 COA 核对。

可以提供哪些规格和包装?

常见纯度为 按批次COA提供(不公开发布),包装形式为 按订单/批次确认(不公开发布),特殊规格可在询价时说明。

Butan-3-one-2-yl butanoate 一般用在什么产品里?

主要涉及Flavors。

下单流程是怎样的?

来信 info@591daili.com 或 WhatsApp 联系,提供产品名称、CAS 号与数量,确认价格与交期后即可安排发货,验收以批次 COA 为准。

PubChem 公开数据

Description

Butan-3-one-2-yl butanoate is identified by CAS 84642-61-5, molecular formula C8H14O3 and molecular weight 158.09 g/mol. UNII SEN8DCI58L; ChEBI 173671; InChIKey LJDWJXUIGKSETE-UHFFFAOYSA-N. Boiling Point: 76 °C (11 mm Hg); Density: 0.972-0.992; Refractive Index: 1.408-1.429.

Identification

CAS Registry Number84642-61-5
PubChem CID529253
Molecular formulaC8H14O3
Molecular weight158.09 g/mol
IUPAC name3-oxobutan-2-yl butanoate
InChIKeyLJDWJXUIGKSETE-UHFFFAOYSA-N
UNII (FDA)SEN8DCI58L
ChEBI IDCHEBI:173671
FEMA number3332
JECFA number407

Computed Descriptors

Molecular Weight158.19
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count5
Exact Mass158.094294304
Monoisotopic Mass158.094294304
Topological Polar Surface Area43.4
Heavy Atom Count11
Formal Charge0

Physical & Chemical Properties

Boiling Point76 °C (11 mm Hg)
Density0.972-0.992
Refractive Index1.408-1.429

Physical description & handling notes

  • white to slightly yellow liquid with a sweet, red berry characteristic odour
  • soluble in alcohol, propylene glycol and most fixed oils; insoluble in water
  • (in ethanol)

Regulatory Status

Regulatory & Food ContactEU Flavoring substances
FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
Flavoring Agents
FLAVOURING_AGENT: Flavouring Agent
Mouthfeel
No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary100% (92 / 92)

GHS Hazard Classification

GHS notification summary100% (92 / 92)

This chemical does not meet GHS hazard criteria for 100% (92 of 92) of all reports.

Reported as not meeting GHS hazard criteria by 92 of 92 companies. For more detailed information, please visit ECHA C&L website.

Documented Uses

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

Synonyms

1-Methyl-2-oxopropyl butyrate; Butan-3-one-2-yl butanoate; Acetoyl butyrate; 84642-61-5; 3-oxobutan-2-yl butanoate; 1-Methyl-2-oxopropyl butanoate; FEMA No. 3332; SEN8DCI58L; Butanoic acid, 1-methyl-2-oxopropyl ester; EINECS 283-438-7; Butan-3-one-2-yl butanoate (natural); DTXSID601305714; BUTAN-3-ONE-2-YL BUTANOATE [FCC]; BUTAN-3-ONE-2-YL BUTANOATE [FHFI]; RefChem:570567; DTXCID201735692

Frequently Asked Questions

What are the CAS number and molecular formula of Butan-3-one-2-yl butanoate?

CAS 84642-61-5; molecular formula C8H14O3; molecular weight 158.09 g/mol.

What other names is Butan-3-one-2-yl butanoate known by?

1-Methyl-2-oxopropyl butyrate, Butan-3-one-2-yl butanoate, Acetoyl butyrate, 84642-61-5, 3-oxobutan-2-yl butanoate, 1-Methyl-2-oxopropyl butanoate.

What is the regulatory status of Butan-3-one-2-yl butanoate?

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

Is Butan-3-one-2-yl butanoate classified as hazardous?

100% of GHS notifications report no hazard classification (92 of 92).

What are the key physical properties of Butan-3-one-2-yl butanoate?

Boiling Point: 76 °C (11 mm Hg); Density: 0.972-0.992; Refractive Index: 1.408-1.429.

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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