2-Acetylbutyrolactone (HCID 10601)

개요

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

이름 및 식별자

우선 이름: 2-Acetylbutyrolactone
IUPAC: 3-acetyloxolan-2-one
현지명: α-아세틸-γ-부틸올락톤
영어명: 2-Acetylbutyrolactone
분자식: C6H8O3
분자량: 128.13

이름 및 동의어

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

이름 더 보기

α-아세틸-γ-부틸올락톤2-아세틸뷰티롤아세톤ABLα-Acetyl-γ-butyrolactoneACETYLBUTYROLACTONEα-Acetylbutyrolactonea-Acetyl-y-Butyrolactone

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

데이터베이스 식별자

CAS: 517-23-7
PubChem CID: 10601
DTXSID: DTXSID6044436
ChEMBL: CHEMBL3187921
ChEBI: CHEBI:179633
UNII: I3D73T5K0Q
EC Number: 208-235-2
Nikkaji: J6.575G

물성

구조 계산 물성

XLogP: 0.1
극성 표면적: 43.4 Å²
수소 결합 공여자 수: 0
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 9
형식 전하: 0
복잡도: 150

실험 및 물리화학적 성질

Chemical ClassesOther Classes -> Lactones

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

Physical Description · 2건

Liquid

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

물리화학적 성질

녹는점: 25 °C · <25 °C
끓는 점: 107 · 107-108 °C5 mm Hg(lit.)
밀도: 1.19 g/mL · 1.19 g/mL at 25 °C(lit.)
증기압: 0.131 Pa · 0.131Pa at 20℃
굴절률: 20 · n20/D 1.459(lit.)
인화점: 230 °F · >230 °F
저장 조건: Keep in dark place,Sealed in dry,Room Temperature
용해도: 200 g/L · 200g/L
산도 계수 (pKa): 12 · 12.00±0.20(Predicted)
물리적 상태: 액체
색상: 투명한
생물학적 소스: human
수용성: 310 g/L · 310g/L(20℃)
Merck: 14 · 14,83
Specific Activity: 717 · 717-971nmol/min·mg
BRN: 112676 · 112676
안정성: 안정적인. 강한 산화제, 강한 염기와 호환되지 않습니다.
InChI: 1S/C6H8O3/c1-4(7)5-2-3-9-6(5)8/h5H,2-3H2,1H3
InChIKey: OMQHDIHZSDEIFH-UHFFFAOYSA-N
SMILES: CC(=O)C1CCOC1=O
LogP: -0.43 at · -0.43 at 22℃
NIST: 2 · 2(3H)-Furanone, 3-acetyldihydro-(517-23-7)
EPA: 2 · 2(3H)-Furanone, 3-acetyldihydro- (517-23-7)

화학적 성질

Colorless to light yellow liqui

안전 및 규제

GHS 분류

GHS Classification · 5건

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.

유해성 정보

Regulatory Information · 4건

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%)

안전 데이터

wgk: 1
tsca: TSCA listed
rtecs: LU3456000
HS 번호: 29322980
risk_code: 36/37/38-61
hazard_code: Xi,T
safety_code: 26-36-37/39-45-53
기존화학 물질: 2000-3-1481
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3
스토리지 클래스: 10 - Combustible liquids

화학 및 산업

용도 및 제조

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 · 2건

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

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

응용 분야

용도An intermediate in the synthesis of 2,4-disubstituted pyridines. A fluorogenic reagent for the spectrofluorimetric determination of primary amines.

공급사50 곳

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

INTATRADE GmbH+49 3493/605464 · [email protected]

爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]

韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]

연결된 노트

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α-아세틸-γ-부틸올락톤

기본 정보

개요