3,4-Dihydro-2H-pyran-2-methanol

HCID 95559CAS 3749-36-8

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Grundinformationen

Standard-SMILES: OCC1CCC=CO1
InChIKey: XMICBFRKICBBKD-UHFFFAOYSA-N
Summenformel: C6H10O2
Durchschnittliche Molmasse: 114,14 g/mol
Monoisotopische Masse: 114,06807956

Namen und Bezeichner

Bevorzugter Name: 3,4-dihydro-2H-pyran-2-methanol
IUPAC: 3,4-dihydro-2H-pyran-2-ylmethanol
Lokaler Name: 3,4-Dihydro-2H-pyran-2-methanol
Englischer Name: 3,4-Dihydro-2H-pyran-2-methanol
Summenformel: C6H10O2
Molmasse: 114.14

Namen und Synonyme

3,4-Dihydro-2H-pyran-2-methanol3749-36-82H-Pyran-2-methanol, 3,4-dihydro-AI3-24752EINECS 223-150-0DTXSID301305096NSC 20753RefChem:486150DTXCID10930364223-150-02-Hydroxymethyl-3,4-dihydro-2H-pyran3,4-Dihydro-2H-pyran-2-ylmethanol

Weitere Namen anzeigen

DHP LINKER, 99% MIN.DHP Linker (2--3,4-)Dihydro-2H-pyran-2-Me3,4-DIHYDRO-2H-PYRANE-2-METHANOL2-Hydroxymethyl-3,4-dihydropyran3,4-Dihydroxy-2H-pyran-2-Methanol

DHP linker(3,4-dihydro-2H-pyran-2-yl)methanolMFCD00051507hydroxymethyldihydro-pyranNSC20753M02893NSC-20753HY-34692

Datenbank-Bezeichner

CAS: 3749-36-8
PubChem CID: 95559
DTXSID: DTXSID301305096
EC Number: 223-150-0
Nikkaji: J217.647E

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,5
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 1
Schwere Atome: 8
Formalladung: 0
Komplexität: 88

Physikochemische Eigenschaften

Siedepunkt: 92 · 92-93 °C25 mm Hg(lit.)
Dichte: 1.101 g/mL · 1.101 g/mL at 25 °C(lit.)
Brechungsindex: 20 · n20/D 1.478(lit.)
Flammpunkt: 85 °C · 85°C
storage temp.: 2 · 2-8°C
Löslichkeit: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
pka: 14.34 · 14.34±0.10(Predicted)
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
BRN: 107275 · 107275
InChI: InChI=1S/C6H10O2/c7-5-6-3-1-2-4-8-6/h2,4,6-7H,1,3,5H2
InChIKey: XMICBFRKICBBKD-UHFFFAOYSA-N
SMILES: C1(CO)OC=CCC1
CAS Datenbank: 3749 · 3749-36-8(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (97.6%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract 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 42 reports by companies from 5 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.