2-Propoxy-benzaldehyde
Grundinformationen
- CAS
7091-12-5- Standard-SMILES
CCCOc1ccccc1C=O- InChIKey
CDUPASLURGOXGD-UHFFFAOYSA-N- Summenformel
- C10H12O2
- Durchschnittliche Molmasse
- 164,2 g/mol
- Monoisotopische Masse
- 164,08372962
Namen und Bezeichner
- Bevorzugter Name
- 2-Propoxy-benzaldehyde
- IUPAC
- 2-propoxybenzaldehyde
- Englischer Name
- 2-Propyloxybenzaldehyde
- Summenformel
- C10H12O2
- Molmasse
- 164.2
Namen und Synonyme
2-Propoxy-benzaldehydeRefChem:483250658-432-62-Propoxybenzaldehyde7091-12-52-n-propoxybenzaldehydeMFCD000461502-propyloxybenzaldehydepropoxy benzaldehydeNSC68512Benzaldehyde,-2-propoxySCHEMBL812635
Weitere Namen anzeigen
FR-2293ZERO/001040BAS 09975368ZINC01695172ASISCHEM V34141TIMTEC-BB SBB001592o-Propoxybenzaldehyde
SCHEMBL910513SCHEMBL7472188SCHEMBL30920025DTXSID50290414ALBB-001164BBL022916NSC-68512SBB001592
Datenbank-Bezeichner
- CAS
7091-12-5- PubChem CID
- 249807
- DTXSID
DTXSID50290414- EC Number
- 658-432-6
- Nikkaji
- J433.140K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 2,6
- Polarare Oberfläche (TPSA)
- 26,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 134
Physikochemische Eigenschaften
- Schmelzpunkt
- 173 · 173-174 °C
- Siedepunkt
- 87 °C · 87 °C(Press: 0.3 Torr)
- Dichte
- 1.038 · 1.038±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C, stored under nitrogen
- InChI
- InChI=1S/C10H12O2/c1-2-7-12-10-6-4-3-5-9(10)8-11/h3-6,8H,2,7H2,1H3
- InChIKey
- CDUPASLURGOXGD-UHFFFAOYSA-N
- SMILES
- C(=O)C1=CC=CC=C1OCCC
- CAS Datenbank
- 7091 · 7091-12-5(CAS DataBase Reference)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Danger
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H318 (88.4%): Causes serious eye damage [Danger Serious eye damage/eye irritation]；H319 (11.6%): 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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 3 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.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)；Eye Dam. 1 (88.4%)；Eye Irrit. 2 (11.6%)；STOT SE 3 (100%)
Sicherheitsdaten
- hs_code
- 2912490090
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemie und Industrie
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