Dihydro-4,4-dimethyl-2H-pyran-2,6(3H)-dion

3,3-Dimethylglutaric anhydride

HCID 77813CAS 4160-82-1

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Grundinformationen

Standard-SMILES: CC1(C)CC(=O)OC(=O)C1
InChIKey: HIJQFTSZBHDYKW-UHFFFAOYSA-N
Summenformel: C7H10O3
Durchschnittliche Molmasse: 142,15 g/mol
Monoisotopische Masse: 142,06299418

Namen und Bezeichner

Bevorzugter Name: 3,3-Dimethylglutaric anhydride
IUPAC: 4,4-dimethyloxane-2,6-dione
Lokaler Name: Dihydro-4,4-dimethyl-2H-pyran-2,6(3H)-dion
Englischer Name: 3,3-Dimethylglutaric anhydride
Summenformel: C7H10O3
Molmasse: 142.15

Namen und Synonyme

3,3-Dimethylglutaric anhydride4160-82-14,4-Dimethyldihydro-2H-pyran-2,6(3H)-dione2H-Pyran-2,6(3H)-dione, dihydro-4,4-dimethyl-Glutaric anhydride, 3,3-dimethyl-U3BON0TR03NSC 2827NSC-28273,3-dimethylglutaric acid anhydrideEINECS 223-998-1Dihydro-4,4-dimethyl-2H-pyran-2,6(3H)-dioneGlutaric anhydride, beta,beta-dimethyl-

Weitere Namen anzeigen

GEPI-005MONO-0024,4-dimethyloxane-2,6-dione3,3-Dimethyladipic anhydride3,3'-DIMETHYL GLUTARIC ANHYDRIDE3,3-DIMETHYLGLUTARIC ANHYDRIDE 99%

.beta.,.beta.-Dimethylglutaric anhydrideAI3-11032DTXSID40633274,4-DIMETHYLDIHYDROPYRAN-2,6-DIONERefChem:485584DTXCID8039950beta,beta-Dimethylglutaric anhydride223-998-1

Datenbank-Bezeichner

CAS: 4160-82-1
PubChem CID: 77813
DTXSID: DTXSID4063327
UNII: U3BON0TR03
EC Number: 223-998-1
Nikkaji: J151.112B

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,7
Polarare Oberfläche (TPSA): 43,4 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 0
Schwere Atome: 10
Formalladung: 0
Komplexität: 163

Physikochemische Eigenschaften

Schmelzpunkt: 124 · 124-126 °C (lit.)
Siedepunkt: 181 °C/25 · 181 °C/25 mmHg (lit.)
Dichte: 1.1643 · 1.1643 (rough estimate)
Brechungsindex: 1.473 · 1.4730 (estimate)
Flammpunkt: 181 °C/25mm · 181°C/25mm
storage temp.: Inert atmosphere,Room Temperature
Aggregatzustand: Crystalline Powder
Farbe: White to off-white
InChI: InChI=1S/C7H10O3/c1-7(2)3-5(8)10-6(9)4-7/h3-4H2,1-2H3
InChIKey: HIJQFTSZBHDYKW-UHFFFAOYSA-N
SMILES: C1(=O)OC(=O)CC(C)(C)C1
CAS Datenbank: 4160 · 4160-82-1(CAS DataBase Reference)
EPA chemische Informationen: 2 H-Pyran-2,6 · 2H-Pyran-2,6(3H)-dione, dihydro-4,4-dimethyl- (4160-82-1)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (100%): 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Sicherheitsdaten

wgk: 3
tsca: TSCA listed
hs_code: 29171990
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-37/39-36
Speicherklasse: 11 - Combustible Solids
Hazard Classifications: Eye Irrit. 2Skin Irrit. 2STOT SE 3

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information2H-Pyran-2,6(3H)-dione, dihydro-4,4-dimethyl-: INACTIVE

Anwendungen

Verwenden3,3-Dimethylglutaric Anhydride acts as a reagent for the synthesis of piscidinol A derivatives and their ability to inhibit HIV-1 protease.