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Hexadecyloxiran

1,2-Epoxyoctadecane

HCID 23872
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Grundinformationen

CAS
7390-81-0
Standard-SMILES
CCCCCCCCCCCCCCCCC1CO1
InChIKey
QBJWYMFTMJFGOL-UHFFFAOYSA-N
Summenformel
C18H36O
Durchschnittliche Molmasse
268,5 g/mol
Monoisotopische Masse
268,27661577

Überblick

1,2-epoxyoctadecane appears as white waxy or chunky solid. (NTP, 1992)

Namen und Bezeichner

Bevorzugter Name
1,2-Epoxyoctadecane
IUPAC
2-hexadecyloxirane
Lokaler Name
Hexadecyloxiran
Englischer Name
1,2-Epoxyoctadecane
Summenformel
C18H36O
Molmasse
268.48

Namen und Synonyme

1,2-EPOXYOCTADECANE7390-81-02-HexadecyloxiraneHexadecyloxiraneOxirane, hexadecyl-1,2-Octadecylene OxideOxirane, 2-hexadecyl-octadecylene oxideO8GK4E0CVL1,2-OCTADECENE EPOXIDEOCTADECANE, 1,2-EPOXY-J91.342A
Weitere Namen anzeigen
hexadecyl-oxiranhexadecyl-OxiraneOxirane,hexadecyl-1-Octadecene oxide1,2-Octadecane oxide
DTXSID4025246RefChem:72061OCTADECENE EPOXIDEVIKOLOX 18DTXCID505246230-977-0MFCD00005152CCRIS 2619

Datenbank-Bezeichner

CAS
7390-81-0
PubChem CID
23872
DTXSID
DTXSID4025246
UNII
O8GK4E0CVL
EC Number
230-977-0
Nikkaji
J91.342A

Eigenschaften

Berechnete Struktureigenschaften

XLogP
8,4
Polarare Oberfläche (TPSA)
12,5 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
1
Frei drehbare Bindungen
15
Schwere Atome
19
Formalladung
0
Komplexität
179

Experimentelle und physikochemische Eigenschaften

PolymersPlastics & Rubber -> Epoxides
Density0.83 at 68 °F (NTP, 1992) - Less dense than water; will float
Solubilityless than 1 mg/mL at 70 °F (NTP, 1992)
Endocrine DisruptorsPotential endocrine disrupting compound
Boiling Point279 °F at 0.5 mmHg (NTP, 1992)
Melting Point79 °F (NTP, 1992)
Physical Description · 2 Einträge

1,2-epoxyoctadecane appears as white waxy or chunky solid. (NTP, 1992)

White solid; mp = 26 deg C; [CAMEO] White solid; mp = 30-35 deg C; [Alfa Aesar MSDS]

Physikochemische Eigenschaften

Schmelzpunkt
33 · 33-35°C
Siedepunkt
146 · 146-148°C 1mm

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 · 6 Einträge

This chemical does not meet GHS hazard criteria for 8.3% (4 of 48) of reports.

Warning

H315 (91.7%): 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 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

Gefahrenhinweise

Regulatory InformationChemical: Oxirane, hexadecyl-
Other Safety InformationIMAP assessments - Long-chain alkyl oxiranes: Human health tier II assessment
Fire HazardsFlash point data for this chemical are not available, but it is probably combustible. (NTP, 1992)
Health HazardsACUTE/CHRONIC HAZARDS: This compound is a local irritant. (NTP, 1992)
Hazards SummaryMay violently polymerize; [CAMEO] A local irritant; [NTP] A skin and strong eye irritant; [Alfa Aesar MSDS]
Reactive GroupEpoxides
Reactivity AlertsPolymerizable
Reactivity Profile · 1 Eintrag

1,2-EPOXYOCTADECANE, an epoxide, is sensitive to exposure to moisture. This compound is incompatible with strong acids, caustics and peroxides. (NTP, 1992). Epoxides are highly reactive. They polymerize in the presence of catalysts or when heated. These polymerization reactions can be violent. Compounds in this group react with acids, bases, and oxidizing and reducing agents. They react, possibly violently with water in the presence of acid and other catalysts.

Chemie und Industrie

Verwendung und Herstellung

General Manufacturing InformationOxirane, 2-hexadecyl-: ACTIVE

Anwendungen

Verwenden1,2-Epoxyoctadecane can be used to produce octadecane-1,2-diol at heating. It is used in agrochemical, pharmaceutical and dyestuff field .

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

1-OctadecenePeroxyessigsäure ...%Essigsure

Zugehörige Reaktionen

9
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 1108
HRID 1108als Eduktuspto-grants-1998_03
Reaktionsgleichung von HRID 1109
HRID 1109als Eduktuspto-grants-1998_03
Reaktionsgleichung von HRID 1122
HRID 1122als Eduktuspto-grants-1998_03
Reaktionsgleichung von HRID 291897
HRID 291897als EduktTraining data from https://doi.org/10.1039/C8SC04228D (8/10)
Reaktionsgleichung von HRID 721997
HRID 721997als Eduktuspto-grants-2006_11
Reaktionsgleichung von HRID 839771
HRID 839771als Eduktuspto-grants-1978_06
Reaktionsgleichung von HRID 1210178
HRID 1210178als EduktTraining data from https://doi.org/10.1039/C8SC04228D (5/10)
Reaktionsgleichung von HRID 1560003
HRID 1560003als EduktTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
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Dichte
0.9227 · 0.9227 (rough estimate)
Brechungsindex
1.45 · 1.4500 (estimate)
Flammpunkt
176 °C · 176°C
storage temp.
Store at room temperature
Aggregatzustand
powder to lump to clear liquid
Farbe
White or Colorless to Almost white or Almost colorless
Wasserlöslichkeit
Insoluble in water.
BRN
115434 · 115434
Stabilität
Stable. Combustible. Incompatible with strong acids, peroxides, caustics. Moisture sensitive.
CAS Datenbank
7390 · 7390-81-0(CAS DataBase Reference)
NIST chemische Informationen
Oxirane, hexadecyl-(7390-81-0)
EPA chemische Informationen
1 · 1,2-Epoxyoctadecane (7390-81-0)
Air and Water ReactionsThis chemical is sensitive to exposure to moisture. Insoluble in water.
Hazard Classes and Categories · 2 Einträge

Skin Irrit. 2 (91.7%)

Skin irritation - category 2

Sicherheit und Schutzausrüstung

Fire FightingFires involving this material can be controlled with a dry chemical, carbon dioxide or Halon extinguisher. (NTP, 1992)
First Aid · 1 Eintrag

EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.

Nonfire Spill Response · 1 Eintrag

SMALL SPILLS AND LEAKAGE: If a spill of this chemical occurs, FIRST REMOVE ALL SOURCES OF IGNITION, then you should dampen the solid spill material with acetone and transfer the dampened material to a suitable container. Use absorbent paper dampened with acetone to pick up any remaining material. Seal your contaminated clothing and the absorbent paper in a vapor-tight plastic bag for eventual disposal. Solvent wash all contaminated surfaces with acetone followed by washing with a soap and water solution. Do not reenter the contaminated area until the Safety Officer (or other responsible person) has verified that the area has been properly cleaned.

Personal Protective Equipment (PPE) · 1 Eintrag

RECOMMENDED RESPIRATOR: Where the neat test chemical is weighed and diluted, wear a NIOSH-approved half face respirator equipped with an organic vapor/acid gas cartridge (specific for organic vapors, HCl, acid gas and SO2) with a dust/mist filter. (NTP, 1992)

Sicherheitsdaten

tsca
TSCA listed
hs_code
2910.90.9100
risk_code
36/38-36/37/38
hazard_code
Xi
safety_code
26-36-37/39