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Isoamyl 2-Methyl butyrate

CAS 27625-35-0C10H20O2MW 172.26

Isoamyl 2-Methyl butyrate(CAS 27625-35-0):分子式 C10H20O2、分子量 172.26;类别 有机化学品。

产品概览

CAS号27625-35-0
分子式C10H20O2
分子量172.26
沸点185.00 to 186.00 °C. @ 760.00 mm Hg
LogP3.2
类别Organic Chemicals

技术档案

这个产品是什么

Isoamyl 2-Methyl butyrate 是一种以碳骨架为基础的有机化合物,登记 CAS 号为 27625-35-0,分子式 C10H20O2(分子量 172.26),归属于有机化学品大类化工原料。

识别信息

登记 CAS 号:27625-35-0

其分子式 C10H20O2 由 10 个碳、20 个氢、2 个氧 组成。

别名/同义词:Isoamyl 2-Methyl butyrate · 3-METHYLBUTYL 2-METHYLBUTANOATE · Isoamyl 2-methylbutanoate

所属分类:有机化学品

常见问题

Isoamyl 2-Methyl butyrate 的 CAS 号是多少?

Isoamyl 2-Methyl butyrate 的 CAS 登记号为 27625-35-0。

Isoamyl 2-Methyl butyrate 的分子式与分子量是多少?

分子式 C10H20O2,分子量 172.26。

Isoamyl 2-Methyl butyrate 还有哪些别名?

别名/同义词:Isoamyl 2-Methyl butyrate、3-METHYLBUTYL 2-METHYLBUTANOATE、Isoamyl 2-methylbutanoate。

Isoamyl 2-Methyl butyrate 属于哪个分类?

所属分类:Organic Chemicals。

PubChem 公开数据

Isoamyl 2-Methyl butyrate(CAS 27625-35-0)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 Number27625-35-0
PubChem CID520326
Molecular formulaC10H20O2
Molecular weight172.15 g/mol
IUPAC name3-methylbutyl 2-methylbutanoate
InChIKeyVGIRHYHLQKDEPP-UHFFFAOYSA-N
UNII (FDA)7LGN25Y6EK
ChEBI IDCHEBI:179544
FEMA number3505
JECFA number51

计算分子描述符

Molecular Weight172.26
XLogP33.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass172.146329876
Monoisotopic Mass172.146329876
Topological Polar Surface Area26.3
Heavy Atom Count12

在册的理化数值

Boiling Point185.00 to 186.00 °C. @ 760.00 mm Hg
Boiling Point70-71 °C (8 mm Hg)
Density0.852-0.861
Refractive Index1.4124

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

    27625-35-0; 3-Methylbutyl 2-methylbutanoate; Isopentyl 2-methylbutyrate; Isoamyl 2-methylbutyrate; Butanoic acid, 2-methyl-, 3-methylbutyl ester; Isopentyl 2-methylbutanoate; 3-Methylbutyl 2-methylbutyrate; Isoamyl 2-methylbutanoate; Isoamyl alpha-methylbutyrate; FEMA No. 3505; 7LGN25Y6EK; EINECS 248-581-1; 3-Methylbutyl 2-methylbutanoate (natural); AI3-33629; ISOAMYL-2-METHYLBUTYRATE; DTXSID90865387

    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
    Fruit
    No safety concern at current levels of intake when used as a flavouring agent
    GHS notification summary73.3% (118 / 161)

    GHS 危害分类

    GHS notification summary73.3% (118 / 161)
    Reported hazard statementsH315 (25.5%), H319 (26.1%)

    This chemical does not meet GHS hazard criteria for 73.3% (118 of 161) of all reports.

    H315 (25.5%): Causes skin irritation [Warning Skin corrosion/irritation]

    公开数据库对它的描述

    Isoamyl 2-methylbutanoate is identified by CAS 27625-35-0, molecular formula C10H20O2 and molecular weight 172.15 g/mol. UNII 7LGN25Y6EK; ChEBI 179544; InChIKey VGIRHYHLQKDEPP-UHFFFAOYSA-N. Boiling Point: 185.00 to 186.00 °C. @ 760.00 mm Hg; Boiling Point: 70-71 °C (8 mm Hg); Density: 0.852-0.861.

    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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