1-Octadecene
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Basic information
- CAS
112-88-9- Standard SMILES
C=CCCCCCCCCCCCCCCCC- InChIKey
CCCMONHAUSKTEQ-UHFFFAOYSA-N- Molecular formula
- C18H36
- Average molar mass
- 252.5 g/mol
- Monoisotopic mass
- 252.28170115
Overview
Octadec-1-ene is an octadecene with unsaturation at C-1.
Names & identifiers
- Preferred name
- 1-Octadecene
- IUPAC
- octadec-1-ene
- English name
- 1-OCTADECENE
- Molecular formula
- C18H36
- Molecular weight
- 252.48
Names & synonyms
1-OCTADECENE112-88-9Octadec-1-enealpha-OctadeceneDTXSID3026932H5ZUQ6V4AKNSC-66460DTXCID106932CHEBI:30824RefChem:6721204-012-9OCTADECENE
Show more names
1-Octadecene, tech-95Dialen 181-Octadecane1-Octadecene, 90%, techNSC 664601 - oleicNeodene 18
.alpha.-OctadeceneOctadecene-1MFCD0000900327070-58-21-Octadecene, analytical standardalpha-octadecyleneOctadecylene alpha-UNII-H5ZUQ6V4AK
Database identifiers
- 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
Properties
Computed structural propertiesFilling in
- XLogP
- 10
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 15
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 148
Experimental & physicochemical properties
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]
Physicochemical properties
- Melting point
- 14 · 14-16 °C(lit.)
- Boiling point
- 179 °C15 · 179 °C15 mm Hg(lit.)
- Density
- 0.789 g/mL · 0.789 g/mL at 25 °C(lit.)
- vapor density
- 0.71 · 0.71 (vs air)
- vapor pressure
- 1.3 hPa · 1.3 hPa (20 °C)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
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.
Hazard information
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
Chemistry & industry
Uses & manufacturing
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
Applications
DescriptionOctadecene is a long-chain hydrocarbon and an alkene with the molecular formula C18H36. There are multiple structural isomers of octadecene, depending on the position of the double bond. 1-Octadecene, an alpha-olefin, is a relatively inexpensive solvent, with a boiling point of 315 °C.It is compatible with oleic acid.
Uses1-octadecene is a widely used solvent for high temperature nanocrystal synthesis (120–320 °C). Non-coordinating 1-octadecene (ODE)is another frequently used solvent and seems to be plagued less by impurities.Apart from its role as solvent, ODE has often been used as reagent in NC synthesis since ODE’sterminalalkene (vinyl) has inherent reactivity.
Uses1-Octadecene is used for the preparation of alkene-terminated silicon alkyl monolayers, nanocrystals, nanoplatelets and quantum dots.
Uses1-Octadecene may be used in the preparation of monodisperse CuPd alloy nanoparticles (NPs). It may be used in the synthesis of magnetite nanocrystals.
Related reactions
26 records
Compound notes
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