CAS 668455-70-7 4-Methoxy-2-(prop-2-en-1-yloxy)benzoic acid (HCID 21506878)

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Grundinformationen

CAS: 668455-70-7
Standard-SMILES: C=CCOc1cc(OC)ccc1C(=O)O
InChIKey: NAFITOVUIPDYLZ-UHFFFAOYSA-N
Summenformel: C11H12O4
Durchschnittliche Molmasse: 208,21 g/mol
Monoisotopische Masse: 208,07355886

Namen und Bezeichner

Bevorzugter Name: 4-Methoxy-2-(prop-2-en-1-yloxy)benzoic acid
IUPAC: 4-methoxy-2-prop-2-enoxybenzoic acid
Englischer Name: Benzoic acid, 4-methoxy-2-(2-propenyloxy)-
Summenformel: C11H12O4
Molmasse: 208.21

Namen und Synonyme

4-methoxy-2-(prop-2-en-1-yloxy)benzoic acid668455-70-7RefChem:524525961-906-84-methoxy-2-prop-2-enoxybenzoic acid2-Allyloxy-4-methoxy-benzoic acidMFCD14649103Benzoic acid, 4-methoxy-2-(2-propenyloxy)-2-(ALLYLOXY)-4-METHOXYBENZOIC ACIDSCHEMBL2902590NAFITOVUIPDYLZ-UHFFFAOYSA-NTBB45570

Weitere Namen anzeigen

4-methoxy-2-(2-propen-1-yloxy)Benzoic acidBenzoic acid, 4-methoxy-2-(2-propen-1-yloxy)-

AKOS009075948HS-5325DA-03767CS-02320344-methoxy-2-(prop-2-en-1-yloxy)benzoicacidEN300-126151G54965A1-15402

Datenbank-Bezeichner

CAS: 668455-70-7
PubChem CID: 21506878
EC Number: 961-906-8

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,9
Polarare Oberfläche (TPSA): 55,8 Å²
H-Brücken-Donoren: 1
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 5
Schwere Atome: 15
Formalladung: 0
Komplexität: 227

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 5 Einträge

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): 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 2 reports by companies from 1 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.