4-(Heptyloxy)phenol
Grundinformationen
- CAS
13037-86-0- Standard-SMILES
CCCCCCCOc1ccc(O)cc1- InChIKey
HZBABTUFXQLADL-UHFFFAOYSA-N- Summenformel
- C13H20O2
- Durchschnittliche Molmasse
- 208,3 g/mol
- Monoisotopische Masse
- 208,14632988
Überblick
4-Heptyloxyphenol is an aromatic ether.
Namen und Bezeichner
- Bevorzugter Name
- 4-(Heptyloxy)phenol
- IUPAC
- 4-heptoxyphenol
- Englischer Name
- 4-Heptyloxyphenol
- Summenformel
- C13H20O2
- Molmasse
- 208.3
Namen und Synonyme
4-Heptyloxyphenol13037-86-04-(HEPTYLOXY)PHENOL4-heptoxyphenolp-(Heptyloxy)phenolp-n-HeptyloxyphenolPhenol, p-(heptyloxy)-DTXSID5022483W9GSE02182J27.312KAC-45594RefChem:523580
Weitere Namen anzeigen
4-(heptyloxy)-HEPTYLOXYPHENOLp-(heptyloxy)-pheno4-(heptyloxy)-pheno
DTXCID602483627-297-5Phenol, 4-(heptyloxy)-p-heptyloxyphenol4-n-HeptyloxyphenolAC 45594AC45594Hydroquinone Monoheptyl Ether
Datenbank-Bezeichner
- CAS
13037-86-0- PubChem CID
- 25641
- DTXSID
DTXSID5022483- ChEMBL
CHEMBL193558- ChEBI
CHEBI:34406- UNII
- W9GSE02182
- EC Number
- 627-297-5
- Nikkaji
- J27.312K
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- 4,6
- Polarare Oberfläche (TPSA)
- 29,5 Ų
- H-Brücken-Donoren
- 1
- H-Brücken-Akzeptoren
- 2
- Frei drehbare Bindungen
- 7
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 139
Physikochemische Eigenschaften
- Schmelzpunkt
- 60 · 60-63 °C (lit.)
- Siedepunkt
- 307.5 °C · 307.5°C (rough estimate)
- Dichte
- 0.9962 · 0.9962 (rough estimate)
- Brechungsindex
- 1.486 · 1.4860 (estimate)
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- 10 mM · Soluble in DMSO > 10 mM
- pka
- 10.35 · 10.35±0.15(Predicted)
- Aggregatzustand
- powder to crystal
- Farbe
- White to Light yellow to Light orange
- InChI
- 1S/C13H20O2/c1-2-3-4-5-6-11-15-13-9-7-12(14)8-10-13/h7-10,14H,2-6,11H2,1H3
- InChIKey
- HZBABTUFXQLADL-UHFFFAOYSA-N
- SMILES
- CCCCCCCOc1ccc(O)cc1
- CAS Datenbank
- 13037 · 13037-86-0(CAS DataBase Reference)
- EPA chemische Informationen
- 4 · Phenol, 4-(heptyloxy)- (13037-86-0)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, 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 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 2909.50.5000
- RTECS-Nr.
- SL4860000
- risk_code
- 36/37/38
- hazard_code
- Xi
- safety_code
- 26-37/39
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Eye Irrit. 2Skin Irrit. 2STOT SE 3
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing InformationPhenol, 4-(heptyloxy)-: ACTIVE
Anwendungen
Verwenden4-(Heptyloxy)phenol was used to treat bovine luteal cells.
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