1-Octadecene
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Grundinformationen
- CAS
112-88-9- Standard-SMILES
C=CCCCCCCCCCCCCCCCC- InChIKey
CCCMONHAUSKTEQ-UHFFFAOYSA-N- Summenformel
- C18H36
- Durchschnittliche Molmasse
- 252,5 g/mol
- Monoisotopische Masse
- 252,28170115
Überblick
Octadec-1-ene is an octadecene with unsaturation at C-1.
Namen und Bezeichner
- Bevorzugter Name
- 1-Octadecene
- IUPAC
- octadec-1-ene
- Englischer Name
- 1-OCTADECENE
- Summenformel
- C18H36
- Molmasse
- 252.48
Namen und Synonyme
1-OCTADECENE112-88-9Octadec-1-enealpha-OctadeceneDTXSID3026932H5ZUQ6V4AKNSC-66460DTXCID106932CHEBI:30824RefChem:6721204-012-9OCTADECENE
Weitere Namen anzeigen
1-Octadecene, tech-95Dialen 181-Octadecane1-Octadecene, 90%, techNSC 664601 - oleicNeodene 18
.alpha.-OctadeceneOctadecene-1MFCD0000900327070-58-21-Octadecene, analytical standardalpha-octadecyleneOctadecylene alpha-UNII-H5ZUQ6V4AK
Datenbank-Bezeichner
- CAS
112-88-9、27070-58-2- PubChem CID
- 8217
- DTXSID
DTXSID3026932- ChEMBL
CHEMBL3187417- ChEBI
CHEBI:30824- UNII
- H5ZUQ6V4AK
- EC Number
- 204-012-9、248-205-6
- Nikkaji
- J43.500G
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- XLogP
- 10
- Polarare Oberfläche (TPSA)
- 0 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 0
- Frei drehbare Bindungen
- 15
- Schwere Atome
- 18
- Formalladung
- 0
- Komplexität
- 148
Experimentelle und physikochemische Eigenschaften
Chemical ClassesOther Classes -> Aliphatics, Unsaturated
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
SpringerMaterials PropertiesBoiling point
Vapor Pressure0.0000675 [mmHg]
Physical Description
Liquid
Liquid
Melting point = 17.5 deg C; [ChemIDplus] Colorless liquid; mp = 18.3 deg C; [OECD SIDS: Higher Olefins - 2004]
Physikochemische Eigenschaften
- Schmelzpunkt
- 14 · 14-16 °C(lit.)
- Siedepunkt
- 179 °C15 · 179 °C15 mm Hg(lit.)
- Dichte
- 0.789 g/mL · 0.789 g/mL at 25 °C(lit.)
- Dampfdichte
- 0.71 · 0.71 (vs air)
- Dampfdruck
- 1.3 hPa · 1.3 hPa (20 °C)
- Brechungsindex
- 20 · n20/D 1.444(lit.)
- Flammpunkt
- 300 °F · 300 °F
- storage temp.
- 30 °C · Store below +30°C.
- Aggregatzustand
- Liquid
- Wichte
- 0.789 · 0.789
- Farbe
- Clear colorless to amber
- Geruch (Odor)
- mild hydrocarbon odor
- Wasserlöslichkeit
- Miscible with alcohol, acetone and ether. Immiscible with water.
- BRN
- 1761067 · 1761067
- Major Application
- environmentalpetroleum
- InChI
- 1S/C18H36/c1-3-5-7-9-11-13-15-17-18-16-14-12-10-8-6-4-2/h3H,1,4-18H2,2H3
- InChIKey
- CCCMONHAUSKTEQ-UHFFFAOYSA-N
- SMILES
- CCCCCCCCCCCCCCCCC=C
- LogP
- 9.47 · 9.470 (est)
- CAS Datenbank
- 112 · 112-88-9(CAS DataBase Reference)
- EPA chemische Informationen
- 1 · 1-Octadecene (112-88-9)
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
This chemical does not meet GHS hazard criteria for 3% (25 of 827) of reports.
Danger
H304 (97%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]
P301+P316, P331, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 827 reports by companies from 5 notifications to the ECHA C&L Inventory.
This chemical does not meet GHS hazard criteria for 2.8% (3 of 106) of reports.
Gefahrenhinweise
Regulatory Information
Chemical: 1-Octadecene
1-Octadecene is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Octadecene are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Octadecene is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octadecene are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)
Status: Active Update: 15-02-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/2000
Status: Active Update: 15-11-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/13253
1-Octadecene: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
In a skin irritation study of human volunteers, 16 of 18 subjects exhibited moderate to strong erythema, edema, and papules 30 minutes after application; At 24 hours, 17 had similar signs, with 9 of these showing effects that spread beyond the application site; Not a skin sensitizer in a study of 36 human volunteers; [IUCLID] May cause irritation; [Aldrich MSDS]
Hazard Classes and Categories
Asp. Tox. 1 (97%)
Asp. Tox. 1 (97.2%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29012990
- risk_code
- 65-66
- Toxizität
- LD50 orally in Rabbit: > 10000 mg/kg LD50 dermal Rabbit > 10000 mg/kg
- hazard_code
- Xn
- safety_code
- 23-24/25-62
- Speicherklasse
- 10 - Combustible liquids
- Hazard Classifications
- Asp. Tox. 1
- Selbstentzündungstemperatur
- 482 °F
Chemie und Industrie
Verwendung und Herstellung
Uses
Used as an intermediate for lube oil additives, surfactants, and hydraulic fluids and additives; Also used in drilling fluids for off-shore oil exploration; [OECD SIDS: Higher Olefins - 2004]
Petroleum Production and Refining [Category: Industry]
U.S. Production
2023: 100,000,000 - <250,000,000 lb
2023: 55,000,000 - <70,000,000 lb
Consumer UsesSizing agent
Industry Uses
Intermediate
Other
General Manufacturing Information
Oil and Gas Drilling, Extraction, and Support activities
Oil and Gas Drilling, Extraction, and Support activities
1-Octadecene: ACTIVE
Octadecene: ACTIVE
Anwendungen
Verwenden1-Octadecene is used for the preparation of alkene-terminated silicon alkyl monolayers, nanocrystals, nanoplatelets and quantum dots.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Ergänzende Hinweise
DefinitionChEBI: An octadecene with unsaturation at C-1.
Zugehörige Reaktionen
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