Isoamyl 2-methylbutanoate

CAS 27625-35-0C10H20O2MW 172.15 g/mol

Isoamyl 2-methylbutanoate（CAS 27625-35-0）：分子式 C10H20O2、分子量 172.15 g/mol。

产品概览

CAS号	27625-35-0
分子式	C10H20O2
分子量	172.15 g/mol
沸点	185.00 to 186.00 °C. @ 760.00 mm Hg
LogP	3.2
应用领域	Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Butanoic acid、2-methyl-、3-methylbutyl ester: ACTIVE

应用领域

登记用途：Use Classification: Fragrance Ingredients、Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes、Flavoring Agents -> JECFA Flavorings Index、General Manufacturing Information: Butanoic acid、2-methyl-、3-methylbutyl ester: ACTIVE。

技术档案

这个产品是什么

Isoamyl 2-methylbutanoate 是一种化工化合物，登记 CAS 号为 27625-35-0，分子式 C10H20O2（分子量 172.15 g/mol）。

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-methylbutanoate · 3-METHYLBUTYL 2-METHYLBUTANOATE · Isoamyl 2-Methyl butyrate

常见问题

Isoamyl 2-methylbutanoate 的 CAS 号是多少？

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

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

分子式 C10H20O2，分子量 172.15 g/mol。

Isoamyl 2-methylbutanoate 还有哪些别名？

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

Isoamyl 2-methylbutanoate 的登记用途是什么？

PubChem 公开数据

Isoamyl 2-methylbutanoate（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 Number	27625-35-0
PubChem CID	520326
Molecular formula	C10H20O2
Molecular weight	172.15 g/mol
IUPAC name	3-methylbutyl 2-methylbutanoate
InChIKey	VGIRHYHLQKDEPP-UHFFFAOYSA-N
UNII (FDA)	7LGN25Y6EK
ChEBI ID	CHEBI:179544
FEMA number	3505
JECFA number	51

计算分子描述符

Molecular Weight	172.26
XLogP3	3.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	172.146329876
Monoisotopic Mass	172.146329876
Topological Polar Surface Area	26.3
Heavy Atom Count	12

在册的理化数值

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
Refractive Index	1.4124

在册的记载用途

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 Contact	EU 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 summary	73.3% (118 / 161)

GHS 危害分类

GHS notification summary	73.3% (118 / 161)
Reported hazard statements	H315 (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。