HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Methyloxetan-2-on
β-BUTYROLACTONE · 2-Oxetanone, 4-methyl- · 4-METHYL-2-OXETANONE · 4-methyl-2-oxetanon · b-Methyl-b-propiolactone · 3-BUTANOLIDE · 3-Butyrolactone · SS-BUTYROLACTONE
Identifikatoren & physikalische Daten
| CAS No. | 3068-88-0 |
|---|---|
| Summenformel | C4H6O2 |
| Durchschnittliche Molmasse | 86,09 g/mol |
| Monoisotopische Masse | 86,03677943 g/mol |
| SMILES | CC1CC(=O)O1 |
| InChIKey | GSCLMSFRWBPUSK-UHFFFAOYSA-N |
| PubChem CID | 18303 |
| ChEMBL | CHEMBL1361205 |
| ChEBI | CHEBI:82296 |
| EC No. | 221-330-3 |
| DTXSID | DTXSID1020223 |
| Lokaler Name | 4-Methyloxetan-2-on |
Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 77,6 |
| Stoffklassen | Other Classes -> LactonesCarcinogens |
| Dichte | 1.0555 at 68 °F (NTP, 1992) - Denser than waterwill sink1.056 g/mL at 25 °C(lit.) |
| Löslichkeit | greater than or equal to 100 mg/mL at 73 °F (NTP, 1992)132.7g/L(18 ºC) |
| Flammpunkt | 140 °F (NTP, 1992) |
| Siedepunkt | 160 to 163 °F at 29 mmHg (NTP, 1992)71-73 °C29 mm Hg(lit.) |
| Schmelzpunkt | -46.3 °F (NTP, 1992)−43.5 °C(lit.) |
| Dampfdruck | 0.5 mmHg at 108 °F5.5 mmHg at 124 °F18.5 mmHg at 163 °F (NTP, 1992)1.65 [mmHg] |
| Physical Description | Beta-butyrolactone is a clear colorless liquid with an acetone-like odor. (NTP, 1992)Clear colorless liquid with an odor like acetone[CAMEO] |
| Brechungsindex | n20/D 1.411(lit.) |
| Lagerbedingungen | Storage temp. 2-8°C |
| Farbe | Colorless to Almost colorless |
| Stabilität | Stable. Incompatible with strong bases, strong oxidizing agents. Flammable. |
| Hauptanwendungen | cleaning productscosmeticsflavors and fragrancesfood and beveragespersonal care |
| InChI | InChI=1S/C4H6O2/c1-3-2-4(5)6-3/h3H,2H2,1H3 |
| InChIKey | GSCLMSFRWBPUSK-UHFFFAOYSA-N |
| SMILES | O1C(C)CC1=O |
| CAS Datenbank | 3068-88-0(CAS DataBase Reference) |
| EPA chemische Informationen | .beta.-Butyrolactone (3068-88-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning Flammable liquids]P203, P210, P233, P240, P241, P242, P243, P264, P264+P265, P280, P302+P352, P303+P361+P353, P305+P351+P338, P318, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Chemical: 2-Oxetanone, 4-methyl-Hazard Traits - Carcinogenicity2-Oxetanone, 4-methyl-: Does not have an individual approval but may be used under an appropriate group standardThe New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.) |
| Weitere Sicherheitsinformationen | IMAP assessments - 2-Oxetanone, 4-methyl-: Human health tier II assessment |
| DOT-Kennzeichnung | Flammable Liquid |
| Brandgefahren | This chemical is combustible. (NTP, 1992) |
| Gesundheitsgefahren | SYMPTOMS: Symptoms of exposure to this compound include irritation of the skin, eyes, mucous membranes and upper respiratory tract. |
| Gefahrenübersicht | Highly flammableA skin, eye, mucous membrane, and upper respiratory tract irritantHarmful by ingestion, inhalation, and skin absorption[CAMEO] A moderate skin irritant[RTECS] A skin and strong eye irritantSuspected carcinogen[Sigma-Aldrich MSDS] See Butyrolactone. |
| Reaktive Gruppe | Esters, Sulfate Esters, Phosphate Esters, Thiophosphate Esters, and Borate Esters |
| Reactivity Alerts | Highly Flammable |
| Reactivity Profile | BETA-BUTYROLACTONE is incompatible with strong oxidizers and strong bases. It is hydrolyzed by water and aqueous alkali. (NTP, 1992) |
| Air and Water Reactions | Highly flammable. Water soluble |
| Hazard Classes and Categories | Flam. Liq. 3 (100%)Carcinogenicity - category 2Skin corrosion/irritation - Category 2Carcinogenicity - Category 1B |
| Brandbekämpfung | Fires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. A water spray may also be used. (NTP, 1992) |
| Erste Hilfe | EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop. |
| Freisetung ohne Brand | SMALL SPILLS AND LEAKAGE: If you should spill this chemical, use absorbent paper to pick up all liquid spill material. Seal the absorbent paper, as well as any of your clothing which may be contaminated, in a vapor-tight plastic bag for eventual disposal. Wash any surfaces you may have contaminated with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned. |
| Isolation and Evacuation | Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]: |
| Personal Protective Equipment (PPE) | MINIMUM PROTECTIVE CLOTHING: If Tyvek-type disposable protective clothing is not worn during handling of this chemical, wear disposable Tyvek-type sleeves taped to your gloves. |
| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
| Carcinogen Classification | beta-ButyrolactoneGroup 2B: Possibly carcinogenic to humansVolume 11: (1976) Cadmium, Nickel, Some Epoxides, Miscellaneous Industrial Chemicals and General Considerations on Volatile Anaesthetics19991998 |
| RAIS Toxicity Values | 0.00029CALEPA1 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 3 |
| Zollcode | 2932.20.5050 |
| RTECS-Nr. | RQ8050000 |
| R-Sätze (R) | 36/38-40 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 3.2Carc. 2Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2 |
| Verpackungsgruppe | III |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
β-Butyrolactone was used in the preparation of (3- O -[oligo-(3-hydroxybutyrate ester)] fluorescein, fluorescein derivative of poly(3-hydroxybutyrate) via anionic polymerization.