4-Hydroxybutylacrylat

4-Hydroxybutyl acrylate

HCID 75588CAS 2478-10-6

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Grundinformationen

Standard-SMILES: C=CC(=O)OCCCCO
InChIKey: NDWUBGAGUCISDV-UHFFFAOYSA-N
Summenformel: C7H12O3
Durchschnittliche Molmasse: 144,17 g/mol
Monoisotopische Masse: 144,07864424

Namen und Bezeichner

Bevorzugter Name: 4-Hydroxybutyl acrylate
IUPAC: 4-hydroxybutyl prop-2-enoate
Lokaler Name: 4-Hydroxybutylacrylat
Englischer Name: 4-Hydroxybutyl acrylate
Summenformel: C7H12O3
Molmasse: 144.17

Namen und Synonyme

4-Hydroxybutyl acrylate2478-10-64-hydroxybutyl prop-2-enoate2-Propenoic acid, 4-hydroxybutyl esterDTXSID30446234O2A4HET1XVISCOAT 4HBADTXCID1024623RefChem:99294219-606-3Hydroxybutyl acrylateAcrylic Acid 4-Hydroxybutyl Ester

Weitere Namen anzeigen

4-HydroxybutyL4-Hydroxybutyl2-propenoate0/6/781,4-Butanediol 1-acrylate1,4-ButanediolmonoacrylateAcrylic acid 4-hydroxybutyl4HBA4-Hydroxybutyl acrylate4-Hydroxybutyl acrylate ,98%

51309-28-51,4-Butanediol monoacrylateMFCD00010261BUTANEDIOL MONOACRYLATE4-hydroxybutylacrylate1,4-butanediol acrylate29086-87-14-Hydroxybutyl Acrylate (stabilized with MEHQ)

Datenbank-Bezeichner

CAS: 2478-10-6、51309-28-5
PubChem CID: 75588
DTXSID: DTXSID3044623
ChEMBL: CHEMBL3189040
UNII: 4O2A4HET1X
EC Number: 219-606-3、257-130-8
Nikkaji: J25.101A

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,1
Polarare Oberfläche (TPSA): 46,5 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 3
Frei drehbare Bindungen: 6
Schwere Atome: 10
Formalladung: 0
Komplexität: 109

Physikochemische Eigenschaften

Schmelzpunkt: -112 °C · -112°C
Siedepunkt: 95 °C/0.1 · 95 °C/0.1 mmHg (lit.)
Dichte: 1.041 g/mL · 1.041 g/mL at 25 °C (lit.)
Dampfdruck: 0.5 Pa · 0.5Pa at 20℃
Brechungsindex: 20 · n20/D 1.452(lit.)
Flammpunkt: 230 °F · >230 °F
storage temp.: 2 · 2-8°C
Aggregatzustand: clear liquid
pka: 14.99 · 14.99±0.10(Predicted)
Farbe: Colorless to Almost colorless
Wasserlöslichkeit: soluble
BRN: 1756545 · 1756545
InChI: 1S/C7H12O3/c1-2-7(9)10-6-4-3-5-8/h2,8H,1,3-6H2
InChIKey: NDWUBGAGUCISDV-UHFFFAOYSA-N
SMILES: OCCCCOC(=O)C=C
LogP: 0.77 at · 0.77 at 25℃
CAS Datenbank: 2478 · 2478-10-6(CAS DataBase Reference)
NIST chemische Informationen: 4 · 4-Hydroxybutyl acrylate(2478-10-6)
EPA chemische Informationen: 4 · 4-Hydroxybutyl acrylate (2478-10-6)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

This chemical does not meet GHS hazard criteria for 2.6% (9 of 350) of reports.

Danger

H302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 350 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 3 Einträge

Chemical: 2-Propenoic acid, 4-hydroxybutyl ester

Status: Active Update: 28-01-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/5357

2-Propenoic acid, 4-hydroxybutyl ester: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (95.7%)

Sicherheitsdaten

F: 10
wgk: 3
tsca: TSCA listed
ridadr: 2922
hs_code: 29161290
risk_code: 20/21/22-36/37/38-51/53
hazard_code: Xn,N,Xi
safety_code: 26-37/39-38-61-36/37/39-29
hazard_class: 8
packing_group: II
Speicherklasse: 10 - Combustible liquids
Hazard Classifications: Acute Tox. 4 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing Information2-Propenoic acid, 4-hydroxybutyl ester: ACTIVE

Anwendungen

VerwendenHydroxybutyl acrylate was one of the monomers utilized in the preparation of poly(2-hydroxy-3-phenoxypropylacrylate, 4-hydroxybutyl acrylate, dibutyl maleate) membranes.