3-Ethyloxetan-3-methanol

Oxt-101

HCID 76444CAS 3047-32-3

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Grundinformationen

Standard-SMILES: CCC1(CO)COC1
InChIKey: UNMJLQGKEDTEKJ-UHFFFAOYSA-N
Summenformel: C6H12O2
Durchschnittliche Molmasse: 116,16 g/mol
Monoisotopische Masse: 116,08372962

Namen und Bezeichner

Bevorzugter Name: Oxt-101
IUPAC: (3-ethyloxetan-3-yl)methanol
Lokaler Name: 3-Ethyloxetan-3-methanol
Englischer Name: 3-Ethyl-3-oxetanemethanol
Summenformel: C6H12O2
Molmasse: 116.16

Namen und Synonyme

3-Ethyl-3-oxetanemethanol3047-32-33-Oxetanemethanol, 3-ethyl-3-Ethyloxetane-3-methanol3-ethyl-3-hydroxymethyloxetane3-Hydroxymethyl-3-ethyloxetaneOXT-1013-ethyl-3-(hydroxymethyl)oxetane622325VBYOOXA (OXETANE)EINECS 221-254-0DTXSID8062812

Weitere Namen anzeigen

(3-Ethyloxetan-3-yl)Methanol3-ethylEOXAEOXEHMOOXA (oxetYF-FM EHMOMonomer-EHMO

TRIMETHYLOLPROPANE OXETANEOXT 1013-ETHYL-3-METHYLOLOXETANEEC 221-254-03-ETHYL-3-OXETANYLMETHYL ALCOHOL3-ETHYL-3-(HYDROXYMETHYL)OXACYCLOBUTANERefChem:857812DTXCID5038204

Datenbank-Bezeichner

CAS: 3047-32-3
PubChem CID: 76444
DTXSID: DTXSID8062812
UNII: 622325VBYO
EC Number: 221-254-0
Nikkaji: J27.218C

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 2
Schwere Atome: 8
Formalladung: 0
Komplexität: 76,6

Experimentelle und physikochemische Eigenschaften

Physical DescriptionLiquid; CBI

Physikochemische Eigenschaften

Siedepunkt: 96 °C/4 · 96 °C/4 mmHg (lit.)
Dichte: 1.019 g/mL · 1.019 g/mL at 25 °C (lit.)
Dampfdruck: 3.1 Pa · 3.1Pa at 25℃
Brechungsindex: 20 · n20/D 1.453(lit.)
Flammpunkt: 227 °F · 227 °F
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: Liquid
pka: 14.58 · 14.58±0.10(Predicted)
Farbe: Clear colorless
Wasserlöslichkeit: Miscible in water.
InChI: InChI=1S/C6H12O2/c1-2-6(3-7)4-8-5-6/h7H,2-5H2,1H3
InChIKey: UNMJLQGKEDTEKJ-UHFFFAOYSA-N
SMILES: O1CC(CC)(CO)C1
LogP: 0.6 at · 0.6 at 25℃
CAS Datenbank: 3047 · 3047-32-3(CAS DataBase Reference)
EPA chemische Informationen: 3 · 3-Oxetanemethanol, 3-ethyl- (3047-32-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H317 (54.1%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P261, P264+P265, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 329 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: 3-Oxetanemethanol, 3-ethyl-

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

Status: Active Update: 18-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/11336

3-ethyl-3-hydroxymethyloxetane: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.

Hazard Classes and CategoriesSkin Sens. 1 (54.1%)