2-Acetylbutyrolactone

HCID 178903928CAS 313643-49-1

子结构检索查找相似结构

基本信息

标准SMILES: CC(=O)C1CCOC1=O
InChIKey: OMQHDIHZSDEIFH-UHFFFAOYSA-N
分子式: C6H8O3
平均分子量: 128.13 g/mol

概述

3-Acetyldihydro-2(3H)-furanone is a gamma-lactone.

名称与标识

首选名称: 2-Acetylbutyrolactone
IUPAC: 3-acetyloxolan-2-one
英文名: 3-Acetyl-dihydro-furan-2-one
分子式: C6H8O3
分子量: 128

名称与别名

2-Acetylbutyrolactone517-23-7ALPHA-ACETYLBUTYROLACTONE2(3H)-Furanone, 3-acetyldihydro-2-Oxo-3-acetyltetrahydrofuranDihydro-3-acetyl-2(3H)-furanonealpha-AcetobutyrolactoneI3D73T5K0QNSC-2019RefChem:5553584,5-dihydro-3-acetylfuran-2(3H)-one208-235-2

展开更多名称

3-acetyldihydrofuran-2(3H)-one3-acetyloxolan-2-one3-Acetyldihydro-2(3H)-furanonealpha-Acetyl-gamma-butyrolactone2-Acetylbutanolide2-Acetyl-gamma-butyrolactone3-acetyltetrahydrofuran-2-one3-Acetyltetrahydro-2-furanone

数据库标识

CAS: 313643-49-1
ChEMBL: CHEMBL3187921
ChEBI: CHEBI:179633
UNII: I3D73T5K0Q
EC Number: 208-235-2
Nikkaji: J6.575G

性质

结构计算性质

XLogP: 0.1
极性表面积: 43.4 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 1
重原子: 9
形式电荷: 0
复杂度: 150

实验与物化性质

Chemical ClassesOther Classes -> Lactones

LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Lactones [FA0704]

Physical Description · 2 条

Liquid

Liquid with an ester-like odor; [Merck Index] Clear colorless to pale yellow liquid; [Acros Organics MSDS]

安全与法规

GHS分类

GHS Classification · 5 条

This chemical does not meet GHS hazard criteria for 0.5% (1 of 202) of reports.

Warning

H315 (97.5%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 202 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

危害信息

Regulatory Information · 4 条

Chemical: 2(3H)-Furanone, 3-acetyldihydro-

2(3H)-Furanone, 3-acetyldihydro- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 2(3H)-Furanone, 3-acetyldihydro- are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 26-11-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/25715

2-Acetyl-gamma-butyrolactone: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryA skin and mucous membrane irritant; [Merck Index] A skin and strong eye irritant; [ECHA REACH Registrations] An irritant; [Acros Organics MSDS] See beta-Butyrolactone and Butyrolactone.

Hazard Classes and CategoriesSkin Irrit. 2 (97.5%)

化学与工业

用途与制造

UsesUsed to make 3,4-disubstituted pyridines and 5-(beta-hydroxethyl)-4-methylthiazole; [Merck Index] Used as an intermediate; [ECHA REACH Registrations]

U.S. Production2023: 5,000,000 - <10,000,000 lb

Industry UsesIntermediate

General Manufacturing Information · 2 条

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

2(3H)-Furanone, 3-acetyldihydro-: ACTIVE

供应商2 家

郑州安慕斯化工产品有限公司15981811963 18737195735 · [email protected]

北京新研汇医药研发有限公司13969155946 · [email protected]

关联笔记

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