α-아세틸-γ-부틸올락톤
2-Acetylbutyrolactone
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기본 정보
- CAS
517-23-7- 표준 SMILES
CC(=O)C1CCOC1=O- InChIKey
OMQHDIHZSDEIFH-UHFFFAOYSA-N- 분자식
- C6H8O3
- 평균 분자량
- 128.13 g/mol
- 단동위원소 질량
- 128.04734412
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 물성보충 중
- XLogP
- 0.1
- 극성 표면적
- 43.4 Ų
- 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
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
안전 및 규제
안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.
GHS 분류
GHS Classification
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
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
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
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.
상·하류 제품 정보
상류 원료
관련 반응
100건
화합물 노트
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