4-(Vinyloxy)butan-1-ol

1,4-Butanediol monovinyl ether

HCID 87329CAS 17832-28-9

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Grundinformationen

Standard-SMILES: C=COCCCCO
InChIKey: HMBNQNDUEFFFNZ-UHFFFAOYSA-N
Summenformel: C6H12O2
Durchschnittliche Molmasse: 116,16 g/mol
Monoisotopische Masse: 116,08372962

Namen und Bezeichner

Bevorzugter Name: 1,4-Butanediol monovinyl ether
IUPAC: 4-ethenoxybutan-1-ol
Lokaler Name: 4-(Vinyloxy)butan-1-ol
Englischer Name: 1,4-Butanediol vinyl ether
Summenformel: C6H12O2
Molmasse: 116.16

Namen und Synonyme

17832-28-91-Butanol, 4-(ethenyloxy)-4-(Vinyloxy)butan-1-ol4-Hydroxybutyl vinyl ether4-(Ethenyloxy)butan-1-ol4-(Vinyloxy)-1-butanolTetramethylene Glycol Monovinyl Ether1,4-Butanediol monovinyl etherDTXSID60448548LGM5RZX0NRAPI-CURE HBVEEINECS 241-793-5

Weitere Namen anzeigen

HBVEHYDROXYBUTYL VINYL ETHERBUTANEDIOL MONOVINYL ETHER4-VINYLOXYBUTANOL4-Vinyloxy-1-butanol5-Oxa-6-heptene-1-ol4-vinyloxy-butan-1-ol

4-(VINYLOXY)BUTANOL4-ETHENYLOXY-1-BUTANOLDTXCID4024854EC 241-793-51-BUTANOL, 4-(VINYLOXY)-RefChem:4164971,4-Butanediol vinyl ether4-ethenoxybutan-1-ol

Datenbank-Bezeichner

CAS: 17832-28-9
PubChem CID: 87329
DTXSID: DTXSID6044854
ChEMBL: CHEMBL3182123
UNII: 8LGM5RZX0N
EC Number: 241-793-5
Nikkaji: J51.553A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 0,9
Polarare Oberfläche (TPSA): 29,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 5
Schwere Atome: 8
Formalladung: 0
Komplexität: 52,5

Experimentelle und physikochemische Eigenschaften

SpringerMaterials PropertiesViscosity

Physical DescriptionLiquid

Physikochemische Eigenschaften

Schmelzpunkt: -33 °C · -33 °C
Siedepunkt: 95 °C/20 · 95 °C/20 mmHg (lit.)
Dichte: 0.939 g/mL · 0.939 g/mL at 25 °C (lit.)
Dampfdruck: 0.3 hPa · 0.3 hPa (20 °C)
Brechungsindex: 20 · n20/D 1.444(lit.)
Flammpunkt: 185 °F · 185 °F
storage temp.: 20 °C · Store at <= 20°C.
Löslichkeit: 75 g/l · 75g/l
pka: 15.04 · 15.04±0.10(Predicted)
Aggregatzustand: clear liquid
Farbe: Colorless to Light yellow
Wichte: 0.93 · 0.93
Explosionsgrenze: 1.4 · 1.4-9.9%(V)
Wasserlöslichkeit: 75 g/L · 75 g/L (20 ºC)
InChI: 1S/C6H12O2/c1-2-8-6-4-3-5-7/h2,7H,1,3-6H2
InChIKey: HMBNQNDUEFFFNZ-UHFFFAOYSA-N
SMILES: OCCCCOC=C
LogP: 0.43 at · 0.43 at 25℃
CAS Datenbank: 17832 · 17832-28-9(CAS DataBase Reference)
EPA chemische Informationen: 1 · 1-Butanol, 4-(ethenyloxy)- (17832-28-9)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 3.5% (6 of 171) of reports.

Warning

H302 (90.6%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 171 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

1-Butanol, 4-(ethenyloxy)- is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Butanol, 4-(ethenyloxy)- 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: 30-10-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/11952

1,4-Butanediolmonovinylether: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (90.6%)