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3-butylphthalide

CAS 6066-49-5C12H14O2MW 190.24

3-butylphthalide，CAS 登记号 6066-49-5，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Organic Chemicals。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6066-49-5
分子式C12H14O2
分子量190.24
沸点177.00 to 178.00 °C. @ 15.00 mm Hg
LogP2.800
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Organic Chemicals
类别Organic Chemicals

用途与场景

Organic Chemicals

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储存条件密封、阴凉干燥处保存
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常见问题

在哪里能查到 3-butylphthalide 的 CAS 号？

本页已列出 3-butylphthalide 的 CAS 号：6066-49-5，可与随货 COA 核对。

可以提供哪些规格和包装？

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3-butylphthalide 一般用在什么产品里？

主要涉及Organic Chemicals。

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PubChem 公开数据

Description

3-n-Butylphthalide is identified by CAS 6066-49-5, molecular formula C12H14O2 and molecular weight 190.10 g/mol. UNII 822Q956KGM; ChEBI 177504; InChIKey HJXMNVQARNZTEE-UHFFFAOYSA-N. Boiling Point: 177.00 to 178.00 °C. @ 15.00 mm Hg; Boiling Point: 113 °C (0.2 mm Hg); Density: 1.068-1.074.

Identification

CAS Registry Number6066-49-5
PubChem CID61361
Molecular formulaC12H14O2
Molecular weight190.10 g/mol
IUPAC name3-butyl-3H-2-benzofuran-1-one
InChIKeyHJXMNVQARNZTEE-UHFFFAOYSA-N
UNII (FDA)822Q956KGM
ChEBI IDCHEBI:177504
FEMA number3334
JECFA number1169

Computed Descriptors

Molecular Weight190.24
XLogP32.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass190.099379685
Monoisotopic Mass190.099379685
Topological Polar Surface Area26.3
Heavy Atom Count14
Formal Charge0

Physical & Chemical Properties

Boiling Point177.00 to 178.00 °C. @ 15.00 mm Hg
Boiling Point113 °C (0.2 mm Hg)
Density1.068-1.074
LogP2.800
LogP2.8
Refractive Index1.524-1.529

Physical description & handling notes

  • colourless, oily liquid; warm-spicy herbaceous aroma
  • Slightly soluble in water; soluble in oil
  • soluble (in ethanol)

Regulatory Status

Regulatory & Food ContactEU Flavoring substances
FDA Substance added to food: FLAVORING AGENT OR ADJUVANT
Flavoring Agents
FLAVOURING_AGENT: Flavouring Agent
Green
No safety concern at current levels of intake when used as a flavouring agent
GHS notification summary68.8% (88 / 128)

GHS Hazard Classification

GHS notification summary68.8% (88 / 128)
Reported hazard statementsH315 (31.2%), H319 (31.2%), H335 (30.5%)

This chemical does not meet GHS hazard criteria for 68.8% (88 of 128) of all reports.

H315 (31.2%): Causes skin irritation [Warning Skin corrosion/irritation]

Documented Uses

  • Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes
  • Flavoring Agents -> JECFA Flavorings Index
  • 1(3H)-Isobenzofuranone, 3-butyl-: ACTIVE
  • Drugs or agents which antagonize or impair any mechanism leading to blood platelet aggregation, whether during the phases of activation and shape change or following the dense-granule release reaction and stimulation of the prostaglandin-thromboxane system.
  • Drugs intended to prevent damage to the brain or spinal cord from ischemia, stroke, convulsions, or trauma. Some must be administered before the event, but others may be effective for some time after. They act by a variety of mechanisms, but often directly or indirectly minimize the damage produced by endogenous excitatory amino acids.

Synonyms

Butylphthalide; 6066-49-5; 3-n-Butylphthalide; 3-BUTYLPHTHALIDE; N-butylphthalide; 3-Butyl-1(3H)-isobenzofuranone; Phthalide, 3-butyl-; 1(3H)-Isobenzofuranone, 3-butyl-; 3-butyl-3H-2-benzofuran-1-one; dl-3-n-butylphthalide; FEMA No. 3334; DTXSID50863687; 822Q956KGM; butilftalida; butylphthalidum; RefChem:30840

Frequently Asked Questions

What are the CAS number and molecular formula of 3-n-Butylphthalide?

CAS 6066-49-5; molecular formula C12H14O2; molecular weight 190.10 g/mol.

What other names is 3-n-Butylphthalide known by?

Butylphthalide, 6066-49-5, 3-n-Butylphthalide, 3-BUTYLPHTHALIDE, N-butylphthalide, 3-Butyl-1(3H)-isobenzofuranone.

What is the regulatory status of 3-n-Butylphthalide?

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

Is 3-n-Butylphthalide classified as hazardous?

68.8% of GHS notifications report no hazard classification (88 of 128).

What are the key physical properties of 3-n-Butylphthalide?

Boiling Point: 177.00 to 178.00 °C. @ 15.00 mm Hg; Boiling Point: 113 °C (0.2 mm Hg); Density: 1.068-1.074; LogP: 2.800.

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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