Grundinformationen
- Standard-SMILES
COC(=O)Cc1ccc(OC)cc1- InChIKey
ZQYLDVNTWDEAJI-UHFFFAOYSA-N- Summenformel
- C10H12O3
- Durchschnittliche Molmasse
- 180,2 g/mol
- Monoisotopische Masse
- 180,07864424
Namen und Bezeichner
- Bevorzugter Name
- Methyl 4-methoxyphenylacetate
- IUPAC
- methyl 2-(4-methoxyphenyl)acetate
- Lokaler Name
- Methyl-4-methoxyphenylacetat
- Englischer Name
- Methyl 4-methoxyphenylacetate
- Summenformel
- C10H12O3
- Molmasse
- 180.2
Namen und Synonyme
Methyl 4-methoxyphenylacetate23786-14-3methyl 2-(4-methoxyphenyl)acetateMethyl 4-methoxybenzeneacetateBenzeneacetic acid, 4-methoxy-, methyl esterMethyl 4-anisoleacetateCCD9T5HQ7MMethyl 2-(p-methoxyphenyl)acetateEINECS 245-886-1DTXSID80178473RefChem:816507DTXCID10100964
Weitere Namen anzeigen
AURORA KA-6001ASISCHEM D13374Methyl 2-(4-methoxyphenyl)METHYL P-METHOXYPHENYLACETATEMethyl4-Methoxyphenylacetate>Methyl 2-(p-methoxyphenyl)acetate
245-886-1Methyl (4-methoxyphenyl)acetate4-Methoxyphenylacetic Acid Methyl EsterMFCD00008454(4-METHOXY-PHENYL)-ACETIC ACID METHYL ESTER(4-Methoxyphenyl)acetic acid methyl esterMethyl (p-methoxyphenyl)acetateAcetic acid, (p-methoxyphenyl)-, methyl ester
Datenbank-Bezeichner
- CAS
23786-14-3- PubChem CID
- 90266
- DTXSID
DTXSID80178473- ChEMBL
CHEMBL445203- UNII
- CCD9T5HQ7M
- EC Number
- 245-886-1
- Nikkaji
- J31.473K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 1,7
- Polarare Oberfläche (TPSA)
- 35,5 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 13
- Formalladung
- 0
- Komplexität
- 160
Physikochemische Eigenschaften
- Siedepunkt
- 158 °C/19 · 158 °C/19 mmHg (lit.)
- Dichte
- 1.135 g/mL · 1.135 g/mL at 25 °C (lit.)
- Brechungsindex
- 20 · n20/D 1.516(lit.)
- Flammpunkt
- 98 °F · 98 °F
- storage temp.
- Sealed in dry,Room Temperature
- Aggregatzustand
- liquid
- Farbe
- yellow-green
- BRN
- 2209665 · 2209665
- InChI
- 1S/C10H12O3/c1-12-9-5-3-8(4-6-9)7-10(11)13-2/h3-6H,7H2,1-2H3
- InChIKey
- ZQYLDVNTWDEAJI-UHFFFAOYSA-N
- SMILES
- COC(=O)Cc1ccc(OC)cc1
- LogP
- 1.88 · 1.880 (est)
- CAS Datenbank
- 23786 · 23786-14-3(CAS DataBase Reference)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H226 (97.6%): 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 42 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesFlam. Liq. 3 (97.6%)
Sicherheitsdaten
- F
- 10
- wgk
- 3
- ridadr
- UN 3272 3/PG 3
- hs_code
- 29189900
- risk_code
- 10
- safety_code
- 16-24/25
- hazard_class
- 3.2
- packing_group
- III
- Speicherklasse
- 3 - Flammable liquids
- Hazard Classifications
- Flam. Liq. 3
Chemie und Industrie
Anwendungen
VerwendenMethyl 4-methoxyphenylacetate was used in the synthesis of 7,8-dihydroxy-2-(4′-hydroxybenzyl)-4H-1-benzopyran-4-one.
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