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4-Methyl-4-(methylthio)pentan-2-one

CAS 23550-40-5C7H14OSMW 146.25

4-Methyl-4-(methylthio)pentan-2-one(CAS 23550-40-5):分子式 C7H14OS、分子量 146.25;类别 有机化学品。

产品概览

CAS号23550-40-5
分子式C7H14OS
分子量146.25
沸点78.00 °C. @ 15.00 mm Hg
LogP1.1
类别Organic Chemicals

技术档案

这个产品是什么

4-Methyl-4-(methylthio)pentan-2-one 是一种以碳骨架为基础的有机化合物,登记 CAS 号为 23550-40-5,分子式 C7H14OS(分子量 146.25),归属于有机化学品大类化工原料。

识别信息

登记 CAS 号:23550-40-5

其分子式 C7H14OS 由 7 个碳、14 个氢、1 个氧、1 个硫 组成。

别名/同义词:4-Methyl-4-(methylthio)pentan-2-one · 4-(Methylthio)-4-methyl-2-pentanone

所属分类:有机化学品

常见问题

4-Methyl-4-(methylthio)pentan-2-one 的 CAS 号是多少?

4-Methyl-4-(methylthio)pentan-2-one 的 CAS 登记号为 23550-40-5。

4-Methyl-4-(methylthio)pentan-2-one 的分子式与分子量是多少?

分子式 C7H14OS,分子量 146.25。

4-Methyl-4-(methylthio)pentan-2-one 还有哪些别名?

别名/同义词:4-Methyl-4-(methylthio)pentan-2-one、4-(Methylthio)-4-methyl-2-pentanone。

4-Methyl-4-(methylthio)pentan-2-one 属于哪个分类?

所属分类:Organic Chemicals。

PubChem 公开数据

4-Methyl-4-(methylthio)pentan-2-one(CAS 23550-40-5)的独立参考数据,整理自公开化学数据库。

各数据库的登记标识

CAS Registry Number23550-40-5
PubChem CID4682590
Molecular formulaC7H14OS
IUPAC name4-methyl-4-methylsulfanylpentan-2-one
UNII (FDA)G69HK72Q3Y
FEMA number3376
JECFA number500

计算分子描述符

Molecular Weight146.25
XLogP31.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass146.07653624
Monoisotopic Mass146.07653624
Topological Polar Surface Area42.4
Heavy Atom Count9

在册的理化数值

Boiling Point78.00 °C. @ 15.00 mm Hg
Boiling Point84 °C (12 mm Hg); 78 °C (15 mm Hg)
Density0.964
Refractive Index1.475-1.485

在册的记载用途

    Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional ClassesFlavoring Agents -> JECFA Flavorings Index

    同义词与商品名

    23550-40-5; 4-Methylthio-4-methyl-2-pentanone; 2-Pentanone, 4-methyl-4-(methylthio)-; 4-Methyl-4-(methylthio)-2-pentanone; 4-Methyl-4-(methylthio)pentan-2-one; cassis pentanone; FEMA No. 3376; 4-(Methylthio)-4-methyl-2-pentanone; 4-methyl-4-(methylsulfanyl)pentan-2-one; EINECS 245-727-6; G69HK72Q3Y; 4-Methylmercapto-4-methylpentan-2-one; DTXSID0066905; 4-METHYLTHIO-4-METHYL-2-PENTANONE [FHFI]; RefChem:525292; DTXCID5036894

    已收录的法规名录

    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 summary90.2% (110 / 122)

    GHS 危害分类

    GHS notification summary90.2% (110 / 122)

    This chemical does not meet GHS hazard criteria for 90.2% (110 of 122) of all reports.

    Reported as not meeting GHS hazard criteria by 110 of 122 companies (only 9.8% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

    公开数据库对它的描述

    4-Methyl-4-(methylthio)pentan-2-one · CAS 23550-40-5 · C7H14OS. UNII G69HK72Q3Y. Boiling Point: 78.00 °C. @ 15.00 mm Hg; Boiling Point: 84 °C (12 mm Hg); 78 °C (15 mm Hg); Density: 0.964.

    物理形态与操作说明

    数据来源:PubChem / Wikidata;与随货 COA 不一致时以 COA 为准。

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