2-Methyl-tetrahydro-pyran-4-OL

HCID 10080379

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Grundinformationen

CAS: 89791-47-9
Standard-SMILES: CC1CC(O)CCO1
InChIKey: ZHPKAPJNEIKPGV-UHFFFAOYSA-N
Summenformel: C6H12O2
Durchschnittliche Molmasse: 116,16 g/mol
Monoisotopische Masse: 116,08372962

Namen und Bezeichner

Bevorzugter Name: 2-Methyl-tetrahydro-pyran-4-OL
IUPAC: 2-methyloxan-4-ol
Englischer Name: 2-Methyl-tetrahydro-pyran-4-ol
Summenformel: C6H12O2
Molmasse: 116.16

Namen und Synonyme

89791-47-92-methyloxan-4-ol2-METHYL-TETRAHYDRO-PYRAN-4-OL2-METHYLTETRAHYDRO-2H-PYRAN-4-OL2-Methyltetrahydropyran-4-olMFCD168776722H-Pyran-4-ol, tetrahydro-2-methyl-4-Hydroxy-2-methyltetrahydropyrancis-2-methyltetrahydropyran-4-oltrans-2-methyltetrahydropyran-4-ol33747-08-9SCHEMBL1369817

Weitere Namen anzeigen

Tetrahydro-2-methyl-2H-pyran-4-ol

SCHEMBL1564431ZHPKAPJNEIKPGV-UHFFFAOYSA-NAKOS013424763PB22789PB42580SB45569SB45940AS-32324

Datenbank-Bezeichner

CAS: 89791-47-9
PubChem CID: 10080379
EC Number: 876-726-4

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,4
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 0
Schwere Atome: 8
Formalladung: 0
Komplexität: 72

Physikochemische Eigenschaften

Siedepunkt: 210 ℃ · 210℃
Dichte: 1.014 · 1.014
Flammpunkt: 92 ℃ · 92℃
storage temp.: 2 · 2-8°C
pka: 14.63 · 14.63±0.40(Predicted)
InChI: InChI=1S/C6H12O2/c1-5-4-6(7)2-3-8-5/h5-7H,2-4H2,1H3
InChIKey: ZHPKAPJNEIKPGV-UHFFFAOYSA-N
SMILES: C1(C)OCCC(O)C1
CAS Datenbank: 89791 · 89791-47-9

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Sicherheitsdaten

ridadr: UN1993
hs_code: 2932990090

Chemie und Industrie

Anwendungen

Verwenden2-Methyl-tetrahydro-pyran-4-ol is an important building block for synthesizing many kinds of organic matter, such as synthesis 2-methyloxan-4-one.