(2S)-2-(phenoxymethyl)oxirane

HCID 1534345

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Grundinformationen

CAS: 71031-03-3
Standard-SMILES: c1ccc(OC[C@@H]2CO2)cc1
InChIKey: FQYUMYWMJTYZTK-SECBINFHSA-N
Summenformel: C9H10O2
Durchschnittliche Molmasse: 150,17 g/mol
Monoisotopische Masse: 150,06807956

Namen und Bezeichner

Bevorzugter Name: (2S)-2-(phenoxymethyl)oxirane
IUPAC: (2S)-2-(phenoxymethyl)oxirane
Englischer Name: (S)-2-Oxiranylanisole
Summenformel: C9H10O2
Molmasse: 150.17

Namen und Synonyme

71031-03-3(2S)-2-(phenoxymethyl)oxiraneRefChem:68932615-242-8(S)-Glycidyl phenyl ether(S)-2-(Phenoxymethyl)oxiraneMFCD06659026(s)-2-phenoxymethyloxirane(S)-2-Phenoxymethyl-oxirane(2S)-2-Phenoxymethyl-oxirane(S)-1,2-epoxy-3-phenoxypropane(S)-3-phenoxy-1,2-epoxypropane

Weitere Namen anzeigen

SPGE(S)-2-OXIRANYLANISOLE(S)-GlycidylPhenylEther>(S)-2-(Phenoxymethyl)oxirane(S)-2-Oxiranylanisole(S)-ALPHA-(2-OXIRANYL)ANISOLE(S)-1,2-Epoxy-3-Phenoxy-propane

DTXSID301308064(2S)-3-phenoxy-1,2-epoxypropaneEN300-4254192(2S)-1,2-Epoxy-3-Phenoxypropane2(S)-phenoxymethyloxirane(s)-phenyl glycidyl etherA804925SCHEMBL1583161

Datenbank-Bezeichner

CAS: 71031-03-3
PubChem CID: 1534345
DTXSID: DTXSID301308064
EC Number: 615-242-8
Nikkaji: J740.954K

Eigenschaften

Berechnete Struktureigenschaften

XLogP: 1,6
Polarare Oberfläche (TPSA): 21,8 Å²
H-Brücken-Donoren: 0
H-Brücken-Akzeptoren: 2
Frei drehbare Bindungen: 3
Schwere Atome: 11
Formalladung: 0
Komplexität: 119

Physikochemische Eigenschaften

Dichte: 1.11 · 1.11
Brechungsindex: 1.529 · 1.5290-1.5330
Flammpunkt: 71 °C · 71 °C
storage temp.: 2 · under inert gas (nitrogen or Argon) at 2-8°C
Aggregatzustand: clear liquid
Farbe: Colorless to Almost colorless
InChI: 1S/C9H10O2/c1-2-4-8(5-3-1)10-6-9-7-11-9/h1-5,9H,6-7H2/t9-/m1/s1
InChIKey: FQYUMYWMJTYZTK-SECBINFHSA-N
SMILES: C1O[C@@H]1COc2ccccc2
CAS Datenbank: 71031 · 71031-03-3(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Danger

H312 (97.6%): Harmful in contact with skin [Warning Acute toxicity, dermal]

P203, P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P354+P338, P317, P318, P319, P321, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesAcute Tox. 4 (97.6%)

Sicherheitsdaten

F: 10-23
wgk: 3
hs_code: 29109000
risk_code: 45-20/21-37/38-41-43-52/53-68
hazard_code: T
safety_code: 53-26-36/37/39-45-61
Speicherklasse: 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
Hazard Classifications: Acute Tox. 4 DermalAcute Tox. 4 InhalationAquatic Chronic 3Carc. 1BEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3