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异丁酸香兰酯

CAS 20665-85-4C12H14O4MW 222.24主营产品

异丁酸香兰酯(CAS 20665-85-4):分子式 C12H14O4、分子量 222.24。

产品概览

CAS号20665-85-4
分子式C12H14O4
分子量222.24
沸点165.00 to 166.00 °C. @ 2.00 mm Hg
LogP2.1

技术档案

这个产品是什么

异丁酸香兰酯 是一种化工化合物,登记 CAS 号为 20665-85-4,分子式 C12H14O4(分子量 222.24)。

识别信息

登记 CAS 号:20665-85-4

其分子式 C12H14O4 由 12 个碳、14 个氢、4 个氧 组成。

别名/同义词:异丁酸香兰酯 · Vanillin isobutyrate

常见问题

异丁酸香兰酯 的 CAS 号是多少?

异丁酸香兰酯 的 CAS 登记号为 20665-85-4。

异丁酸香兰酯 的分子式与分子量是多少?

分子式 C12H14O4,分子量 222.24。

异丁酸香兰酯 还有哪些别名?

别名/同义词:异丁酸香兰酯、Vanillin isobutyrate。

PubChem 公开数据

异丁酸香兰酯(CAS 20665-85-4)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 Number20665-85-4
PubChem CID539829
Molecular formulaC12H14O4
Molecular weight222.09 g/mol
IUPAC name(4-formyl-2-methoxyphenyl) 2-methylpropanoate
InChIKeyBGKAKRUFBSTALK-UHFFFAOYSA-N
UNII (FDA)C55654RCNR
ChEBI IDCHEBI:168997
FEMA number3754
JECFA number891

计算分子描述符

Molecular Weight222.24
XLogP32.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass222.08920892
Monoisotopic Mass222.08920892
Topological Polar Surface Area52.6
Heavy Atom Count16

在册的理化数值

Boiling Point165.00 to 166.00 °C. @ 2.00 mm Hg
Boiling Point130-132 °C (2 mm Hg)
Density1.110-1.136
Refractive Index1.522-1.526

在册的记载用途

    Flavoring Agents -> JECFA Flavorings IndexFlavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

    同义词与商品名

    Vanillin isobutyrate; 4-Formyl-2-methoxyphenyl isobutyrate; Isobutavan; 4-Formyl-2-methoxyphenyl 2-methylpropanoate; Propanoic acid, 2-methyl-, 4-formyl-2-methoxyphenyl ester; Vanillyl isobutyrate; FEMA No. 3754; Isobutyric acid, ester with vanillin; DTXSID9047201; UNII-C55654RCNR; C55654RCNR; 3-Methoxy-4-isobutyrylbenzaldehyde; 4-Hydroxy-m-anisaldehyde isobutyrate; EINECS 243-956-6; 4-Isobutyroyloxy-3-methoxybenzaldehyde; VANILLIN, ISOBUTYRATE

    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
    Floral
    No safety concern at current levels of intake when used as a flavouring agent
    GHS notification summary99.9% (1565 / 1566)

    GHS 危害分类

    GHS notification summary99.9% (1565 / 1566)

    This chemical does not meet GHS hazard criteria for > 99.9% (1565 of 1566) of all reports.

    Reported as not meeting GHS hazard criteria by 1565 of 1566 companies (only < 0.1% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

    公开数据库对它的描述

    Vanillin isobutyrate is identified by CAS 20665-85-4, molecular formula C12H14O4 and molecular weight 222.09 g/mol. UNII C55654RCNR; ChEBI 168997; InChIKey BGKAKRUFBSTALK-UHFFFAOYSA-N. Boiling Point: 165.00 to 166.00 °C. @ 2.00 mm Hg; Boiling Point: 130-132 °C (2 mm Hg); Density: 1.110-1.136.

    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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