(4-Methoxyphenoxy)essigsure

4-Methoxyphenoxyacetic acid

HCID 74649CAS 1877-75-4

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Grundinformationen

Standard-SMILES: COc1ccc(OCC(=O)O)cc1
InChIKey: BHFSBJHPPFJCOS-UHFFFAOYSA-N
Summenformel: C9H10O4
Durchschnittliche Molmasse: 182,17 g/mol
Monoisotopische Masse: 182,0579088

Namen und Bezeichner

Bevorzugter Name: 4-Methoxyphenoxyacetic acid
IUPAC: 2-(4-methoxyphenoxy)acetic acid
Lokaler Name: (4-Methoxyphenoxy)essigsure
Englischer Name: 4-Methoxyphenoxyacetic acid
Summenformel: C9H10O4
Molmasse: 182.17

Namen und Synonyme

2-(4-Methoxyphenoxy)acetic acid1877-75-44-Methoxyphenoxyacetic acidAcetic acid, (4-methoxyphenoxy)-(p-Methoxyphenoxy)acetic acidNSC 4255EINECS 217-513-2NSC 45652Acetic acid, 2-(4-methoxyphenoxy)-AI3-10592DTXSID2062030RefChem:99662

Weitere Namen anzeigen

AKOS BB/0049AKOS BBS-00003727RARECHEM AL BO 03212-(4-methoxyphenoxy)acetate(4-methoxyphenoxy)-aceticaci4-Methoxyphenyloxyacetic acid2-(4-methoxyphenoxy)aceticaci4-Methoxyphenoxyacetic acid,97%

DTXCID3035921BHFSBJHPPFJCOS-UHFFFAOYSA-N(4-Methoxyphenoxy)acetic acidP-methoxyphenoxyacetic acidAcetic acid, (p-methoxyphenoxy)-MFCD00014360Cambridge id 5163559TimTec1_002918

Datenbank-Bezeichner

CAS: 1877-75-4
PubChem CID: 74649
DTXSID: DTXSID2062030
ChEMBL: CHEMBL3247397
EC Number: 217-513-2
Nikkaji: J199.690H

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,2
Polarare Oberfläche (TPSA): 55,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 4
Schwere Atome: 13
Formalladung: 0
Komplexität: 161

Physikochemische Eigenschaften

Schmelzpunkt: 112 · 112-114 °C
Siedepunkt: 275.56 °C · 275.56°C (rough estimate)
Dichte: 1.2481 · 1.2481 (rough estimate)
Brechungsindex: 1.4345 · 1.4345 (estimate)
storage temp.: Sealed in dry,Room Temperature
pka: 1 · pK1:3.213 (25°C)
BRN: 1874579 · 1874579
InChI: InChI=1S/C9H10O4/c1-12-7-2-4-8(5-3-7)13-6-9(10)11/h2-5H,6H2,1H3,(H,10,11)
InChIKey: BHFSBJHPPFJCOS-UHFFFAOYSA-N
SMILES: C(O)(=O)COC1=CC=C(OC)C=C1
CAS Datenbank: 1877 · 1877-75-4(CAS DataBase Reference)
NIST chemische Informationen: Acetic acid, (4-methoxyphenoxy)-(1877-75-4)
EPA chemische Informationen: Acetic acid, (4-methoxyphenoxy)- (1877-75-4)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (87%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (15.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (15.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (13%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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

Aggregated GHS information provided per 46 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.