3-Methoxy-1-butanol (HCID 17291)

Überblick

3-methoxy-1-butanol is a primary alcohol that is butane-1,3-diol in which the hydroxy group at position 3 is replaced by a methoxy group. It is a primary alcohol and an ether. It is functionally related to a butane-1,3-diol.

Namen und Bezeichner

Bevorzugter Name: 3-Methoxy-1-butanol
IUPAC: 3-methoxybutan-1-ol
Lokaler Name: 3-Methoxybutan-1-ol
Englischer Name: 3-Methoxy-1-butanol
Summenformel: C5H12O2
Molmasse: 104.15

Namen und Synonyme

3-Methoxybutan-1-ol3-METHOXY-1-BUTANOL2517-43-33-Methoxybutanol1-Butanol, 3-methoxy-3-methoxybutyl alcoholCCRIS 8976DTXSID0044812EINECS 219-741-8UNII-SJ995B41AONSC 65580SJ995B41AO

Weitere Namen anzeigen

Methoxy-1-butaMethoxybutanolUNII:SJ995B41AO3-methoxy-1-butano3-METHOXY-N-BUTANOL1-Butanol,3-methoxy-3-METHOXYBUTANOL 99%

AI3-24920NSC-65580DTXCID8024812CHEBI:189086EC 219-741-8RefChem:945553-METHOXYBUTANOL [INCI]InChI=1/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H

Datenbank-Bezeichner

CAS: 2517-43-3
PubChem CID: 17291
DTXSID: DTXSID0044812
ChEMBL: CHEMBL3186019
ChEBI: CHEBI:189086
UNII: SJ995B41AO
EC Number: 219-741-8
Nikkaji: J2.160A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,2
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 7
Formalladung: 0
Komplexität: 37,1

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesOptical coefficient

Physikochemische Eigenschaften

Schmelzpunkt: -85 °C · -85 °C
Siedepunkt: 161 °C · 161 °C
Dichte: 0.928 g/mL · 0.928 g/mL at 25 °C(lit.)
Dampfdruck: 17 · 17-460Pa at 20-50℃
Brechungsindex: 20 · n20/D 1.416(lit.)
Flammpunkt: 116 °F · 116 °F
storage temp.: Flammables area
Aggregatzustand: Liquid
pka: 14.9 · 14.90±0.10(Predicted)
Farbe: Clear colorless
Wasserlöslichkeit: SOLUBLE
Kosmetik-Inhaltsstoffe Funktionen: SOLVENT
InChI: 1S/C5H12O2/c1-5(7-2)3-4-6/h5-6H,3-4H2,1-2H3
InChIKey: JSGVZVOGOQILFM-UHFFFAOYSA-N
SMILES: COC(C)CCO
LogP: 0.002 at · 0.002 at 25℃ and pH7
CAS Datenbank: 2517 · 2517-43-3(CAS DataBase Reference)
NIST chemische Informationen: 1 · 1-Butanol-3-methoxy-(2517-43-3)
EPA chemische Informationen: 1 · 1-Butanol, 3-methoxy- (2517-43-3)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 26.6% (155 of 583) of reports.

Warning

H226 (73.4%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 583 reports by companies from 3 notifications to the ECHA C&L Inventory.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: 1-Butanol, 3-methoxy-

1-Butanol, 3-methoxy- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanol, 3-methoxy- 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: 13-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5155

1-Butanol, 3-methoxy-: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesFlam. Liq. 3 (73.4%)

Sicherheitsdaten

wgk: 1
tsca: TSCA listed
ridadr: UN 1987 3/PG 3
hs_code: 29094980
risk_code: 10
safety_code: 16
hazard_class: 3.2
packing_group: III
Speicherklasse: 10 - Combustible liquids

Chemie und Industrie

Verwendung und Herstellung

U.S. Production2022: 1 lb

General Manufacturing Information1-Butanol, 3-methoxy-: ACTIVE

Anwendungen · 1 Eintrag

Verwenden3-Methoxy-1-butanol can be used as: A solvent in the synthesis of potassium 3-methoxy-1-butylxanthate, an intermediate used in the preparation of xanthate complexes. A model compound in the study of dehydration of alcohols using CeO2as a catalyst. An intermediate to synthesize perylene diimide-based dyes applicable as the colorant of the black matrix.