α-Acetyl-γ-butyrolacton

2-Acetylbutyrolactone

HCID 10601CAS 517-23-7
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Grundinformationen

Standard-SMILES
CC(=O)C1CCOC1=O
InChIKey
OMQHDIHZSDEIFH-UHFFFAOYSA-N
Summenformel
C6H8O3
Durchschnittliche Molmasse
128,13 g/mol
Monoisotopische Masse
128,04734412

Überblick

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

Namen und Bezeichner

Bevorzugter Name
2-Acetylbutyrolactone
IUPAC
3-acetyloxolan-2-one
Lokaler Name
α-Acetyl-γ-butyrolacton
Englischer Name
2-Acetylbutyrolactone
Summenformel
C6H8O3
Molmasse
128.13

Namen und Synonyme

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
Weitere Namen anzeigen
ABLα-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

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

XLogP
0,1
Polarare Oberfläche (TPSA)
43,4 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
1
Schwere Atome
9

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Lactones
LipidsFatty Acyls [FA] -> Fatty esters [FA07] -> Lactones [FA0704]
Physical Description · 2 Einträge

Liquid

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

Physikochemische Eigenschaften

Schmelzpunkt
25 °C · <25 °C
Siedepunkt
107 · 107-108 °C5 mm Hg(lit.)
Dichte
1.19 g/mL · 1.19 g/mL at 25 °C(lit.)
Dampfdruck
0.131 Pa · 0.131Pa at 20℃
Brechungsindex
20 · n20/D 1.459(lit.)
Flammpunkt
230 °F · >230 °F

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

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.

Gefahrenhinweise

Regulatory Information · 4 Einträge

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%)

Sicherheitsdaten

wgk
1
tsca
TSCA listed
hs_code
29322980
RTECS-Nr.
LU3456000
risk_code
36/37/38-61
hazard_code
Xi,T

Chemie und Industrie

Verwendung und Herstellung

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 Einträge

Pesticide, Fertilizer, and Other Agricultural Chemical Manufacturing

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

Anwendungen

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

Vor- und nachgelagerte Produkte

Anbieter50 Anbieter

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]

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