StartseiteMCPWorkbenchSkills
StartseiteWorkbenchBenachrichtigungenMein Bereich
llms.txt · MCP-AnleitungDatenschutz · Nutzungsbedingungen · Supportv1.8.0
  1. Startseite
  2. /Verbindung

1-Dodecene

HCID 8183
Neue NotizNeue ReaktionAnfrage stellen
Druckvorschau

Daten werden ergänzt – lade die Seite später neu, um den aktuellen Stand zu sehen

GrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

CAS
112-41-4
Standard-SMILES
C=CCCCCCCCCCC
InChIKey
CRSBERNSMYQZNG-UHFFFAOYSA-N
Summenformel
C12H24
Durchschnittliche Molmasse
168,32 g/mol
Monoisotopische Masse
168,18780077

Überblick

1-dodecene appears as a clear colorless liquid with a mild, pleasnat odor. Insoluble in water and floats on water. Harmful or fatal by ingestion. Inhalation of vapors may irritate and damage lungs. High concentrations may have a narcotic effect.

Namen und Bezeichner

Bevorzugter Name
1-Dodecene
IUPAC
dodec-1-ene
Englischer Name
1-Dodecene
Summenformel
C12H24
Molmasse
168.32

Namen und Synonyme

1-DODECENEDodec-1-ene112-41-4Adacene 12Dodecene-1n-Dodec-1-enealpha-Dodecylenealpha-DodeceneNSC 12016DTXSID5026914HSDB 1076UNII-WYE669F3GR
Weitere Namen anzeigen
Linealene 12adacene12lauryleneα-Dodecylene
EINECS 203-968-4WYE669F3GRNeodene 12NSC-12016DODECENE, 1-DTXCID306914CHEBI:89713EC 203-968-4

Datenbank-Bezeichner

CAS
112-41-4、1124-14-7、25378-22-7、68526-58-9
PubChem CID
8183
DTXSID
DTXSID5026914
ChEMBL
CHEMBL1872885
ChEBI
CHEBI:89713
UNII
WYE669F3GR
EC Number
203-968-4、246-922-9
Nikkaji
J43.534A

Eigenschaften

Berechnete StruktureigenschaftenWird ergänzt

XLogP
6,8
Polarare Oberfläche (TPSA)
0 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
0
Frei drehbare Bindungen
9
Schwere Atome
12
Formalladung
0
Komplexität
84

Experimentelle und physikochemische Eigenschaften

Chemical Classes · 2 Einträge

Other Classes -> Aliphatics, Unsaturated

Other Classes -> Aliphatics, Unsaturated

LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
SpringerMaterials PropertiesBoiling point
LogP6.1
OdorMILD, PLEASANT
Density · 4 Einträge

0.758 at 68 °F (USCG, 1999) - Less dense than water; will float

0.7584 g/cu cm @ 20 °C

0.7584 @ 20 °C/4 °C

Relative density (water = 1): 0.8

Viscosity1.72 sq mm/s @ 20 °C
Color/Form · 2 Einträge

Colorless liquid

COLORLESS LIQUID

Solubility · 2 Einträge

Insoluble in water; sol in ethanol, ethyl ether, and acetone

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 1% (13 of 1254) of reports.

Danger

H304 (98.9%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]

P264, P280, P301+P316, P302+P352, P321, P331, P332+P317, P362+P364, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1254 reports by companies from 15 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

This chemical does not meet GHS hazard criteria for 22.6% (37 of 164) of reports.

Gefahrenhinweise

Regulatory Information · 6 Einträge

Chemical: 1-Dodecene

Chemical: Dodecene

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

1-Dodecene is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Dodecene 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: 17-02-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15280

Status: No longer Valid Update: 16-09-2010 https://echa.europa.eu/registration-dossier/-/registered-dossier/2033

DOT LabelFlammable Liquid
Fire Hazards · 2 Einträge

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:

Combustible. Above 77 °C explosive vapour/air mixtures may be formed.

Fire Potential · 2 Einträge

LOW, WHEN EXPOSED TO HEAT OR FLAME. /DODECENE/

MODERATE, WHEN EXPOSED TO HEAT OR FLAME; CAN REACT WITH OXIDIZING MATERIALS.

Chemie und Industrie

Pharmakologische Informationen

Cellular LocationsMembrane

Verwendung und Herstellung

Uses · 4 Einträge

Used as a chemical intermediate for n-dodecyl dimethyl amine; [HSDB] Used as a synthetic fatty acid intermediate; as feedstock for alkylbenzene; as an intermediate for amines, amine oxides, and mercaptans; [eChemPortal: SIDSUNEP]

Used in flavors, perfumes, medicine, oils, dyes, and resins; [Hawley]

CHEM INT FOR N-DODECYL DIMETHYL AMINE

Chemical intermediate for n-dodecyl dimethyl amine ...

ImpuritiesAlpha-olefins of C4, C6-C15 and >C20 are by-products of oligomerization reactions.
U.S. Exports · 2 Einträge

(1974) 3.4X10+10 G (ALL C6-C20 ALPHA-OLEFINS)

(1975) 2.27X10+10 G (EST-LINEAR ALPHA-OLEFINS)

U.S. Production · 6 Einträge

2023: 550,000,000 - <700,000,000 lb

(1972) 1.6X10+11 G (ALL C6-C20 ALPHA-OLEFINS)

(1975) 1.30X10+11 GRAMS

(1984) 1.76X10+11 g /Dodecene/

(1988) 152,795X10+6 g /Dodecene/

(1993) 155,523X10+6 g /Dodecene/

Consumer UsesIntermediate
Industry UsesProcessing aids not otherwise specified
Methods of Manufacturing · 5 Einträge

OLIGOMERIZATION OF ETHYLENE USING TRIETHYLALUMINUM CATALYST AND FRACTIONAL DISTILLATION OF THE RESULTING ALPHA-OLEFIN MIXTURE

Ethylene (Zeigler oligomerization; coproduced with 1-butene/ 1-hexene/ 1-octene/ alpha-olefins (C12-C14)/ alpha-olefins (C14-C16)/ alpha-olefins (C16-C18/ alpha-olefins (C18+))

The One-Step Ziegler Process involves the oligomerization of ethylene in the presence of triethylaluminum at 180-220 °C and 140 atm.

Zugehörige Reaktionen

60
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 16408
HRID 16408als Lösungsmitteluspto-grants-2010_06
Reaktionsgleichung von HRID 104158
HRID 104158als EduktTraining data from https://doi.org/10.1039/C8SC04228D (2/10)
Reaktionsgleichung von HRID 132089
HRID 132089als Eduktuspto-grants-2008_06
Reaktionsgleichung von HRID 132090
HRID 132090als Eduktuspto-grants-2008_06
Reaktionsgleichung von HRID 187628
HRID 187628als EduktTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
Reaktionsgleichung von HRID 224537
HRID 224537als Eduktuspto-grants-1980_11
Reaktionsgleichung von HRID 229717
HRID 229717als Eduktuspto-grants-2009_07
Reaktionsgleichung von HRID 248665
HRID 248665als Produktuspto-grants-1993_05
Seite 1 von 8

Notizen zur Verbindung

Wird geladen…

Auf dieser SeiteGrundinformationenÜberblickNamen und BezeichnerEigenschaftenSicherheit und RegulatorischesChemie und IndustrieZugehörige ReaktionenNotizen zur Verbindung
Weitere Aktionen
Neue NotizNeue ReaktionAnfrage stellen

Solubility in water: none

Flash Point · 4 Einträge

212 °F (USCG, 1999)

49 °C

Below 212 °F (below 100 °C) (Closed cup)

77 °C c.c.

Boiling Point · 3 Einträge

415 °F at 760 mmHg (USCG, 1999)

213.8 °C

214 °C

Melting Point · 3 Einträge

-31 °F (USCG, 1999)

-35.2 °C

-35 °C

Physikochemische Eigenschaften

Schmelzpunkt
-35 °C · -35 °C (lit.)
Siedepunkt
214 · 214-216 °C (lit.)
Dichte
0.758 g/mL · 0.758 g/mL at 20 °C (lit.)
Dampfdichte
5.8 · 5.8 (vs air)
Dampfdruck
0.2 mm · 0.2 mm Hg ( 20 °C)
Brechungsindex
20 · n20/D 1.429(lit.)
Flammpunkt
172 °F · 172 °F
storage temp.
30 °C · Store below +30°C.
Löslichkeit
It is soluble in ethanol, ethyl ether, and acetone
Aggregatzustand
liquid
Wichte
0.758 · 0.758
Farbe
Colourless
Geruch (Odor)
Mild, pleasant.
Explosionsgrenze
0.6 · 0.6-5.4%(V)
Wasserlöslichkeit
120 μg/L · 120μg/L at 25℃
Spezifische Wärmekapazität
2.14 J/ · Cp(liquid): 2.14 J/(g·K), at 25℃
BRN
1699848 · 1699848
Henry's Law Constant
5.1 · 5.1×10-6 mol/(m3Pa) at 25℃, Yaws (2003)
Dielectric constant
2.19 · 2.1899999999999999
Stabilität
Stable. Combustible. Incompatible with bases, strong oxidizing agents, reducing agents.
Kosmetik-Inhaltsstoffe Funktionen
FRAGRANCESOLVENTVISCOSITY CONTROLLING
InChI
1S/C12H24/c1-3-5-7-9-11-12-10-8-6-4-2/h3H,1,4-12H2,2H3
InChIKey
CRSBERNSMYQZNG-UHFFFAOYSA-N
SMILES
CCCCCCCCCCC=C
LogP
6.1 at · 6.1 at 20℃
CAS Datenbank
112 · 112-41-4(CAS DataBase Reference)
EPA chemische Informationen
1 · 1-Dodecene (112-41-4)
Health HazardsNo inhalation hazard expected. Aspiration hazard if ingested. Minor skin and eye irritation. (USCG, 1999)
Hazards Summary · 2 Einträge

A skin and eye irritant; High concentrations may cause CNS depression; [HSDB] If this liquid is swallowed, aspiration into the lungs may result in chemical pneumonitis. The liquid defats the skin. [ICSC] Oral LDLo (mouse) = 10,000 mg/kg; [RTECS] An irritant; [MSDSonline]

High concentrations cause irritation and narcotic effects; [Hawley]

Reactive GroupHydrocarbons, Aliphatic Unsaturated
Reactivity Profile · 1 Eintrag

1-DODECENE may react vigorously with strong oxidizing agents. May react exothermically with reducing agents to release hydrogen gas. In the presence of various catalysts (such as acids) or initiators, may undergo exothermic addition polymerization reactions.

Atmospheric Standards · 2 Einträge

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Dodecene is produced, as an intermediate or a final product, by process units covered under this subpart. /Dodecene/

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Dodecene is produced, as an intermediate or a final product, by process units covered under this subpart.

Chemical DangersReacts with strong oxidants, halogens and inorganic acids. Attacks rubber, paints and lining materials.
DOT Hazard Classification · 2 Einträge

Dodecene (except 1-dodecene)

Marine pollutant

Air and Water ReactionsInsoluble in water.

Sicherheit und Schutzausrüstung

Fire Fighting · 2 Einträge

Fire Extinguishing Agents: Foam, dry chemical, carbon dioxide (USCG, 1999)

Use foam, dry powder, carbon dioxide.

First Aid Measures · 4 Einträge

Fresh air, rest.

Rinse and then wash skin with water and soap.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Do NOT induce vomiting.

First AidINHALATION: remove victim to fresh air.
Safe StorageSeparated from strong oxidants, halogens and inorganic acids.
Fire Fighting Procedures · 2 Einträge

FOAM, CARBON DIOXIDE, DRY CHEMICAL. /DODECENE/

FOAM, CARBON DIOXIDE, DRY CHEMICAL ...

Storage Conditions · 1 Eintrag

IN GENERAL, MATERIALS WHICH ARE TOXIC AS STORED OR WHICH CAN DECOMP INTO TOXIC COMPONENTS ... SHOULD BE STORED IN A COOL, WELL-VENTILATED PLACE, OUT OF DIRECT RAYS OF THE SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, & SHOULD BE PERIODICALLY INSPECTED ... INCOMPATIBLE MATERIALS SHOULD BE ISOLATED FROM EACH OTHER.

Nonfire Spill ResponseExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Disposal Methods · 2 Einträge

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.

Spillage DisposalDo NOT let this chemical enter the environment. Collect leaking and spilled liquid in covered containers as far as possible.
Preventive Measures · 1 Eintrag

SRP: The scientific literature for the use of contact lenses in industry is conflicting. The benefit or detrimental effects of wearing contact lenses depend not only upon the substance, but also on factors including the form of the substance, characteristics and duration of the exposure, the uses of other eye protection equipment, and the hygiene of the lenses. However, there may be individual substances whose irritating or corrosive properties are such that the wearing of contact lenses would be harmful to the eye. In those specific cases, contact lenses should not be worn. In any event, the usual eye protection equipment should be worn even when contact lenses are in place.

Isolation and EvacuationExcerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:
Eye PreventionWear safety spectacles.

Toxikologische Informationen

Environmental Fate · 3 Einträge

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 5900(SRC), determined from a structure estimation method(2), indicates that 1-dodecene is expected to be immobile in soil. Volatilization of 1-dodecene from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 4.25 atm-cu m/mole(SRC), using a fragment constant estimation method(3). 1-Dodecene is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 0.0159 mm Hg(4). However, adsorption to soil is expected to attenuate volatilization. Pure culture studies indicate that 1-dodecene has the potential to biodegrade under aerobic conditions in soil(5-7), but the rate of biodegradation in soil is unknown(SRC).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 5900(SRC), determined from an estimation method(2), indicates that 1-dodecene is expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 4.25 atm-cu m/mole(SRC), developed using a fragment constant estimation method(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 1.3 hr and 120 hr, respectively, but these rates are expected to be attenuated by adsorption(SRC). The half-life for volatilization from a model pond, which takes into account adsorptive processes, is 17 months(8,SRC). According to a classification scheme(5), an estimated BCF of 310(SRC), from an estimated log Kow of 6.10(6) and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is high. Pure culture studies indicate that 1-dodecene has the potential to biodegrade under aerobic conditions in water(9-11), but the rate of biodegradation is unknown.

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1-dodecene, which has a vapor pressure of 0.0159 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 1-dodecene is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 9.961 hr(SRC), calculated from its rate constant of 39X10-12 cu cm/molecule-sec at 25 °C(3) determined using a structure estimation method(3).

Food Survey Values1-Dodecene was emitted from agricultural species such as onions, oranges, tomatoes in the California Central Valley in unquantifed amounts(1).
Adverse Effects · 2 Einträge

Neurotoxin - Acute solvent syndrome

Neurotoxin - Acute solvent syndrome

Plant Concentrations1-Dodecene was emitted from natural plant species chamise, whitethorn, and valley oak in the California Central Valley in unquantifed amounts(1).
Signs and SymptomsDry skin.
Effluent Concentrations1-Dodecene was reported as a compound present in the exhaust of gasoline engine powered vehicles concns not provided(1). 1-Dodecene was qualitatively identified as a semi-volatile emission during the combustion of agricultural plastics(2).
ICSC Environmental DataBioaccumulation of this chemical may occur in aquatic organisms.
Soil Adsorption/Mobility · 1 Eintrag

Using a structure estimation method based on molecular connectivity indices(1), the Koc for 1-dodecene can be estimated to be 5900(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1-dodecene is expected to be immobile in soil(SRC).

Natural Pollution Sources1-Dodecene was emitted in unknown amounts from natural plant species chamise, whitethorn, and valley oak in the California Central Valley(1).
Atmospheric Concentrations · 1 Eintrag

URBAN/SUBURBAN: 1-Dodecene was qualitatively detected in air samples collected in central Paris, France, autumn of 1972(1). It was qualitatively detected in the air of Leningrad, 1976, and 5 other Russian cities(2,3). INDOOR AIR: 1-Dodecene was qualitatively identified as a volatile organic compound released from textile floor coverings(4).

Human Toxicity Excerpts... IRRITANT AND /CNS DEPRESSANT/ ... IN HIGH CONCENTRATIONS.
Artificial Pollution Sources · 1 Eintrag

1-Dodecene's production and use as a chemical intermediate(1) may result in its release to the environment through various waste streams. It is also released from exhaust of gasoline powered vehicles(2) and during the combustion of plastics(3).

Regulatorische Informationen

Atmospheric Standards · 2 Einträge

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Dodecene is produced, as an intermediate or a final product, by process units covered under this subpart. /Dodecene/

This action promulgates standards of performance for equipment leaks of Volatile Organic Compounds (VOC) in the Synthetic Organic Chemical Manufacturing Industry (SOCMI). The intended effect of these standards is to require all newly constructed, modified, and reconstructed SOCMI process units to use the best demonstrated system of continuous emission reduction for equipment leaks of VOC, considering costs, non air quality health and environmental impact and energy requirements. Dodecene is produced, as an intermediate or a final product, by process units covered under this subpart.

Sicherheitsdaten

wgk
3
tsca
TSCA listed
ridadr
UN3082
hs_code
29012990
RTECS-Nr.
JR5120000
risk_code
43-66-65
Toxizität
LD50 orally in Rabbit: > 10000 mg/kg LD50 dermal Rabbit > 10000 mg/kg
hazard_code
Xi,F,Xn
safety_code
36/37-45-23-62-37-36
hazard_class
9
Speicherklasse
10 - Combustible liquids
Giftige Stoffe Daten
112-41-4(Hazardous Substances Data)
Hazard Classifications
Asp. Tox. 1
Selbstentzündungstemperatur
491 °F

The Two-Step Ziegler Process involves the oligomerization of ethylene in the presence of aluminum alkyls at 175-200 °C and 136-204 atm. Chain growth continues with the reaction of light olefins with the aluminum alkyls continuously fed in stoichiometric amounts.

High purity ethylene contacts a nickel catalyst in a butanediol reaction medium. The alpha-olefins produced separate from the solvent because they are insoluble in the polar medium.

Household ProductsInformation on 2 consumer products that contain Dodecene in the following categories is provided:
General Manufacturing Information · 3 Einträge

Computer and Electronic Product Manufacturing

1-Dodecene: ACTIVE

Dodecene: ACTIVE

Anwendungen · 1 Eintrag

Verwenden1-Dodecene, is used in Oil and Gas field drilling and production operations, in polymer production, as an intermediate, coating, cleaning agent, lubricants and also used as a functional fluid. It is also used in the production of detergents.

Vor- und nachgelagerte Produkte

Nachgelagerte Produkte

Disodium 4-dodecyl-2,4'-oxydibenzenesulfonateCalciumdodecylbenzolsulfonatPentadecan-1-ol2-Tridecen-1-ol, (2Z)-2-(Dodecyloxy)ethanolTrichlor(dodecyl)silan1-Ioddodecan6-PhenyldodecanDodecylphosphonsureChlordodecyldimethylsilan4-Dodecylanilin2-Chlor-N-methylacetamid