1-Octadecene

HCID 8217CAS 112-88-9

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Grundinformationen

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 Struktureigenschaften

XLogP: 10
Polarare Oberfläche (TPSA): 0 Å²
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 · 3 Einträge

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

GHS-Klassifizierung

GHS Classification · 6 Einträge

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 · 6 Einträge

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 · 1 Eintrag

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 · 2 Einträge

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 · 2 Einträge

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 · 2 Einträge

2023: 100,000,000 - <250,000,000 lb

2023: 55,000,000 - <70,000,000 lb

Consumer UsesSizing agent

Industry Uses · 2 Einträge

Intermediate

Other

General Manufacturing Information · 4 Einträge

Oil and Gas Drilling, Extraction, and Support activities

1-Octadecene: ACTIVE

Octadecene: ACTIVE