Tetrahydro-3-methylfuran

3-Methyltetrahydrofuran

HCID 98230CAS 13423-15-9

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Grundinformationen

Standard-SMILES: CC1CCOC1
InChIKey: LJPCNSSTRWGCMZ-UHFFFAOYSA-N
Summenformel: C5H10O
Durchschnittliche Molmasse: 86,13 g/mol
Monoisotopische Masse: 86,07316494

Namen und Bezeichner

Bevorzugter Name: 3-Methyltetrahydrofuran
IUPAC: 3-methyloxolane
Lokaler Name: Tetrahydro-3-methylfuran
Englischer Name: 3-Methyltetrahydrofuran
Summenformel: C5H10O
Molmasse: 86.13

Namen und Synonyme

3-Methyltetrahydrofuran13423-15-9Furan, tetrahydro-3-methyl-EINECS 236-537-4DTXSID40871216EC 236-537-4NSC 91487RefChem:94967DTXCID80818887LJPCNSSTRWGCMZ-UHFFFAOYSA-N3-methyloxolaneTetrahydro-3-methylfuran

Weitere Namen anzeigen

3-Mehtyl-THF1-METHYLTETRAHYDROFURAN3-METHYLTETRAHYDROFURAN 95+%(R,S)-3-Methyl-tetrahydro-furan

MFCD00039681Furan,tetrahydro-3-methyl-3-methyl tetrahydofuran3-methyl tetrahydrofurantetrahydro-3-methyl-Furan3-Methyl-tetra-hydrofuraneSCHEMBL10188SCHEMBL27399

Datenbank-Bezeichner

CAS: 13423-15-9
PubChem CID: 98230
DTXSID: DTXSID40871216
EC Number: 236-537-4
Nikkaji: J102.074I

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1
Polarare Oberfläche (TPSA): 9,2 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 1
Frei drehbare Bindungen: 0
Schwere Atome: 6
Formalladung: 0
Komplexität: 43,2

Physikochemische Eigenschaften

Schmelzpunkt: -137 °C · -137°C (estimate)
Siedepunkt: 89 °C · 89 °C
Dichte: 0 · 0,87 g/cm3
Dampfdruck: 76 hPa · 76hPa at 20℃
Brechungsindex: 1.41979 · 1.41979
Flammpunkt: -6 °C · -6°C
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
Wasserlöslichkeit: 106 g/L · 106g/L at 25℃
InChI: InChI=1S/C5H10O/c1-5-2-3-6-4-5/h5H,2-4H2,1H3
InChIKey: LJPCNSSTRWGCMZ-UHFFFAOYSA-N
SMILES: O1CCC(C)C1
LogP: 1.3 at · 1.3 at 35℃
EPA chemische Informationen: -3 · Furan, tetrahydro-3-methyl- (13423-15-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 111 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: Furan, tetrahydro-3-methyl-

Furan, tetrahydro-3-methyl- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Furan, tetrahydro-3-methyl- 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)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Status: Active Update: 30-03-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/11437

Hazard Classes and CategoriesFlam. Liq. 2 (100%)