1-Octadecene

HCID 8217CAS 112-88-9

Substructure search Find similar structures

Basic information

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 properties

XLogP: 10
Topological polar surface area: 0 Å²
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 · 3 items

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)
refractive index: 20 · n20/D 1.444(lit.)
Flash point: 300 °F · 300 °F
storage temp.: 30 °C · Store below +30°C.
form: Liquid
Specific Gravity: 0.789 · 0.789
color: Clear colorless to amber
Odor: mild hydrocarbon odor
Viscosity: 5.46 mm2/s · 5.46mm2/s
Water Solubility: 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 DataBase Reference: 112 · 112-88-9(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 5 ZUQ6V4AK · H5ZUQ6V4AK
EPA Substance Registry System: 1 · 1-Octadecene (112-88-9)
UNSPSC Code: 41116107 · 41116107
NACRES: 24 · NA.24
Symbol(GHS): 8 · GHS08
Signal word: Danger
Hazard statements: 304 · H304
Precautionary statements: 301 · P301+P310+P331
PPE: Eyeshields, Gloves
Hazard Codes: Xn
Risk Statements: 65 · 65-66
Safety Statements: 23 · 23-24/25-62
WGK Germany: 3 · 3
Autoignition Temperature: 482 °F · 482 °F
TSCA: TSCA listed
HS Code: 29012990 · 29012990
Storage Class: 10 · 10 - Combustible liquids
Hazard Classifications: 1 · Asp. Tox. 1
Toxicity: 50 orally · LD50 orally in Rabbit: > 10000 mg/kg LD50 dermal Rabbit > 10000 mg/kg
REACH Registrations: Active

Safety & regulation

GHS classification

GHS Classification · 6 items

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 · 6 items

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 item

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 items

Asp. Tox. 1 (97%)

Asp. Tox. 1 (97.2%)

Safety data

PPE: Eyeshields, Gloves
wgk: 3
tsca: TSCA listed
hs_code: 29012990
Toxicity: LD50 orally in Rabbit: > 10000 mg/kg LD50 dermal Rabbit > 10000 mg/kg
risk_code: 65-66
Signal word: Danger
Symbol(GHS): GHS08
hazard_code: Xn
safety_code: 23-24/25-62
Storage Class: 10 - Combustible liquids
Hazard statements: H304
REACH Registrations: Active
Hazard Classifications: Asp. Tox. 1
Autoignition Temperature: 482 °F
Precautionary statements: P301+P310+P331

Chemistry & industry

Uses & manufacturing

Uses · 2 items

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 items

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

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

Consumer UsesSizing agent

Industry Uses · 2 items

Intermediate

Other

General Manufacturing Information · 4 items

Oil and Gas Drilling, Extraction, and Support activities

1-Octadecene: ACTIVE

Octadecene: ACTIVE

Applications · 5 items

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.

General DescriptionThe copolymerization of ethylene and 1-octadecene using a bridged metallocene has been studied. Monolayers of 1-octadecene were attached on a hydrogen-terminated (111) silicon surface via free-radical reaction.