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Tetradec-1-en

1-Tetradecene

HCID 14260
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Grundinformationen

CAS
1120-36-1
Standard-SMILES
C=CCCCCCCCCCCCC
InChIKey
HFDVRLIODXPAHB-UHFFFAOYSA-N
Summenformel
C14H28
Durchschnittliche Molmasse
196,37 g/mol
Monoisotopische Masse
196,2191009

Überblick

Watery liquid; colorless; mild pleasant odor. Floats on water. (USCG, 1999)

Namen und Bezeichner

Bevorzugter Name
1-Tetradecene
IUPAC
tetradec-1-ene
Lokaler Name
Tetradec-1-en
Englischer Name
1-Tetradecene
Summenformel
C14H28
Molmasse
196.37

Namen und Synonyme

1-TETRADECENE1120-36-1Tetradec-1-enen-Tetradec-1-ene1-Tetradecylenealpha-Tetradecene1-butadeceneNeodene 14CCRIS 3785DTXSID4027367HSDB 1087AI3-10509
Weitere Namen anzeigen
Tetradecene-1Dialen 14NeoSolv 4Linealene 141-fourteen ene
EINECS 214-306-9NSC 66434UNII-FW23481S7SFW23481S7SNSC-66434DTXCID907367CHEBI:77505EC 214-306-9

Datenbank-Bezeichner

CAS
1120-36-1、25608-58-6、68855-59-4、68855-60-7
PubChem CID
14260
DTXSID
DTXSID4027367
ChEMBL
CHEMBL1892257
ChEBI
CHEBI:77505
UNII
FW23481S7S
EC Number
214-306-9、607-757-1
Nikkaji
J44.092B

Eigenschaften

Berechnete Struktureigenschaften

XLogP
7,9
Polarare Oberfläche (TPSA)
0 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
0
Frei drehbare Bindungen
11
Schwere Atome
14
Formalladung
0
Komplexität
105

Experimentelle und physikochemische Eigenschaften

Chemical ClassesOther Classes -> Aliphatics, Unsaturated
LipidsFatty Acyls [FA] -> Hydrocarbons [FA11]
CosmeticsEmollient
SpringerMaterials PropertiesBoiling point
LogP7.08
OdorMild, pleasant
Density · 3 Einträge

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

0.7745 @ 20 °C/4 °C

Relative density (water = 1): 0.8

Viscosity2.61 cu mm/s (Kinematic)
Color/FormCOLORLESS LIQUID
Solubility · 2 Einträge

SOL IN ETHANOL, ETHER, BENZENE

Solubility in water: none

Flash Point · 4 Einträge

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 · 5 Einträge

This chemical does not meet GHS hazard criteria for 2% (20 of 1014) of reports.

Danger

H304 (97.5%): 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 1014 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Regulatory Information · 4 Einträge

Chemical: 1-Tetradecene

1-Tetradecene is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Tetradecene 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: 28-01-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/2040

1-Tetradecene: Does not have an individual approval but may be used under an appropriate group standard

Fire Hazards · 2 Einträge

Combustible. (USCG, 1999)

Combustible.

Fire PotentialFIRE HAZARD: LOW CAN REACT WITH OXIDIZING MATERIALS.
Health HazardsLIQUID: Irritating to eyes. (USCG, 1999)
Hazards SummaryMay cause eye irritation; [HSDB] If this liquid is swallowed, aspiration into the lungs may result in chemical pneumonitis. The liquid defats the skin. [ICSC] May cause irritation; [MSDSonline]
Reactive Group

Chemie und Industrie

Pharmakologische Informationen

Metabolism/MetabolitesCANDIDA GROWN IN MINERAL-SALTS HYDROCARBON MEDIUM USING 1-TETRADECENE AS SUBSTRATE. 1,2-DIOLS & OMEGA-UNSATURATED FATTY ACIDS DETERMINED.

Verwendung und Herstellung

Uses · 4 Einträge

Used as a chemical intermediate and as a solvent in perfumes, flavors, medicines, dyes, oils, and resins; [HSDB]

CHEMICAL INTERMEDIATE (AS PART OF ALKENE MIXT)

IN LINEAR ALPHA-OLEFIN MIXTURE FOR PRODN OF SULFONATES; CHEM INT FOR N-TETRADECYL DIMETHYL AMINE

SOLVENT IN PERFUMES, FLAVORS, MEDICINES, DYES, OILS, RESINS

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 · 3 Einträge

2023: 400,000,000 - <550,000,000 lb

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

(1975) 1.7X10+11 G (EST-LINEAR ALPHA-OLEFINS)

Consumption PatternsAN ESTIMATED 9.1X10+9 GRAMS OF LINEAR ALPHA-OLEFINS (PROBABLY MOSTLY C14-C18) WERE USED FOR PRODUCTION OF ALPHA-OLEFIN SULFONATE SURFACTANTS (1974)
Consumer UsesSolvent
Industry UsesFuel
Methods of ManufacturingOLIGOMERIZATION OF ETHYLENE USING TRIETHYLALUMINUM CATALYST AND FRACTIONAL DISTILLATION OF THE RESULTING ALPHA-OLEFIN MIXTURE
Formulations/PreparationsPURITY: GRADES: 95%, 99%.
Household ProductsInformation on 6 consumer products that contain Tetradecene-1 in the following categories is provided:

Zugehörige Reaktionen

4
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 372182
HRID 372182als Eduktuspto-grants-1978_05
Reaktionsgleichung von HRID 597280
HRID 597280als Eduktuspto-grants-1977_03
Reaktionsgleichung von HRID 1165246
HRID 1165246als Eduktuspto-grants-1990_03
Reaktionsgleichung von HRID 1639472
HRID 1639472als Produktuspto-grants-2012_02

Notizen zur Verbindung

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230 °F (USCG, 1999)

110 °C

230 °F (110 °C) (CLOSED CUP)

107 °C c.c.

Boiling Point · 3 Einträge

484 °F at 760 mmHg (USCG, 1999)

232-234 °C @ 760 MM HG

252 °C

Physikochemische Eigenschaften

Schmelzpunkt
-13 · -13--11 °C (lit.)
Siedepunkt
251 °C · 251 °C (lit.)
Dichte
0.775 g/mL · 0.775 g/mL at 25 °C (lit.)
Dampfdichte
6.8 · 6.8 (vs air)
Dampfdruck
1.65 Pa · 1.65Pa at 25℃
Brechungsindex
20 · n20/D 1.436(lit.)
Flammpunkt
240 °F · 240 °F
storage temp.
30 °C · Store below +30°C.
Aggregatzustand
liquid
Wichte
0.775 · 0.775
Farbe
Colorless
Geruch (Odor)
mild hydrocarbon odor
Explosionsgrenze
0.5 · 0.5-5.4%(V)
Wasserlöslichkeit
Soluble in hydrocarbon solvents; insoluble in water.
BRN
1701156 · 1701156
Henry's Law Constant
3 · 3.0×10-6 mol/(m3Pa) at 25℃, Brockbank (2013)
Stabilität
Stable. Flammable. Incompatible with strong oxidizing agents.
Kosmetik-Inhaltsstoffe Funktionen
SOLVENTSKIN CONDITIONING - EMOLLIENTVISCOSITY CONTROLLING
InChI
1S/C14H28/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3H,1,4-14H2,2H3
InChIKey
HFDVRLIODXPAHB-UHFFFAOYSA-N
SMILES
CCCCCCCCCCCCC=C
LogP
7.08 at · 7.08 at 20℃
CAS Datenbank
1120 · 1120-36-1(CAS DataBase Reference)
EPA chemische Informationen
1 · 1-Tetradecene (1120-36-1)
Hydrocarbons, Aliphatic Unsaturated
Reactivity Profile · 1 Eintrag

1-TETRADECENE 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.

Chemical DangersReacts with strong oxidants. Attacks rubber, paints and lining materials.
Air and Water ReactionsInsoluble in water.
NFPA Hazard Classification · 3 Einträge

0 - Materials that, under emergency conditions, would offer no hazard beyond that of ordinary combustible materials.

1 - Materials that must be preheated before ignition can occur. Materials require considerable preheating, under all ambient temperature conditions, before ignition and combustion can occur.

0 - Materials that in themselves are normally stable, even under fire conditions.

Hazard Classes and CategoriesAsp. Tox. 1 (97.5%)
Explosive Limits and PotentialExplosive limits , vol% in air: 0.3-4.3

Sicherheit und Schutzausrüstung

Fire Fighting · 2 Einträge

Extinguish with dry chemical, foam, or carbon dioxide. Water may be ineffective on fire. Cool exposed containers with water. (USCG, 1999)

Use dry powder, dry sand, 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 AidEYES: flush with water for 15 minutes. (USCG, 1999)
Safe StorageSeparated from strong oxidants.
Fire Fighting ProceduresCARBON DIOXIDE, DRY CHEMICAL.
Nonfire Spill ResponseStop discharge if possible. Isolate and remove discharged material. Notify local health and pollution control agencies. (USCG, 1999)
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.

Eye PreventionWear safety spectacles.
Fire PreventionNO open flames.
Inhalation RiskA harmful contamination of the air will not or will only very slowly be reached on evaporation of this substance at 20 °C; on spraying or dispersing, however, much faster.
Skin PreventionProtective gloves.

Toxikologische Informationen

Environmental Fate · 3 Einträge

TERRESTRIAL FATE: If released to soil, estimated soil adsorption coefficients ranging from 19,700 to 32,300(1-3,SRC) indicate that 1-tetradecene will be essentially immobile in soil(4). Its estimated Henry's Law constant, 8.48 atm-cu m/mole(3,SRC), indicates that 1-tetradecene may rapidly volatilize from moist soil to the atmosphere although expected strong adsorption to soil may attenuate the rate of this process(SRC). The vapor pressure of 1-tetradecene, 1.5X10-2 mm Hg at 25 °C(2) indicates that volatilization from dry soil to the atmosphere will be very slow. Pure culture studies indicate that 1-tetradecene has the potential to biodegrade in soil under aerobic conditions(5-10,SRC).

AQUATIC FATE: If released to water, estimated bioconcentration factors ranging from 17500 to 51000(1-3,SRC) indicate that 1-tetradecene will bioconcentrate in fish and aquatic organisms(SRC). Estimated soil adsorption coefficients ranging from 19,700 to 32,300(1-3,SRC) indicate that it will strongly adsorb to sediment and suspended organic matter(SRC). Its estimated Henry's Law constant, 8.48 atm-cu m/mole(3,SRC), indicates that 1-tetradecene may rapidly volatilize from water to the atmosphere. The estimated half-life for volatilization from a model river 1 m deep flowing at 1 m/sec with a wind speed of 3 m/sec is 4.1 hrs(1,SRC). Its expected strong adsorption to soil may attenuate the rate of this process. The estimated half-life for volatilization from a model pond, which takes into account adsorptive processes, is 7.3 months(4,SRC). Pure culture studies indicate that 1-tetradecene has the potential to biodegrade in water under aerobic conditions(5-10,SRC).

ATMOSPHERIC FATE: If released to the atmosphere, 1-tetradecene may undergo removal by gas-phase reactions with atmospheric oxidants. An estimated rate constant for the gas-phase reaction of 1-tetradecene with photochemically produced hydroxyl radicals of 4.2X10-13 cu cm/molec sec(1,SRC) translates to an atmospheric half-life of 9.3 hrs using an average atmospheric hydroxyl radical concn of 5X10+5 molec/cu cm(1). An estimated rate constant for the gas-phase reaction of 1-tetradecene with ozone of 1.2X10-17 cu cm/molec sec(1,SRC) translates to an atmospheric half-life of 23 hrs(SRC) using an average atmospheric ozone concn of 7X10+11 molec/cu cm(1).

Signs and SymptomsDry skin.
Effluent Concentrations1-Tetradecene was identified as a semi-volatile emission during the combustion of agricultural plastics(1).
ICSC Environmental DataBioaccumulation of this chemical may occur in aquatic organisms.
Soil Adsorption/Mobility · 1 Eintrag

Estimated soil adsorption coefficients ranging from 19,700 to 32,300 can be calculated for 1-tetradecene using appropriate regression equations(1) and its estimated water solubility, 4.0X10-4 mg/L at 25 °C(1,SRC) obtained from a vapor pressure of 1.5X10-2 mm Hg at 25 °C(2) and estimated Henry's Law constant of 8.48 atm-cu m/mole at 25 °C(3,SRC), and its estimated octanol/water partition coefficient, 7.3(1,SRC), obtained from its estimated water solubility. These soil adsorption coefficients indicate that 1-tetradecene will be essentially immobile in soil(4).

Natural Pollution Sources1-Tetradecene is of anthropogenic origin and it is not known to be produced in nature. (SRC)
Artificial Pollution Sources · 3 Einträge

ORG CMPD ISOLATED FROM GRAB OR COMPOSITE SAMPLES OF INDUSTRIAL & MUNICIPAL DISCHARGES & OF THE ILLINOIS RIVER. OF THE 213 CMPD, 74 WERE LONG-CHAIN HYDROCARBONS.

1-Tetradecene is used as a specialty solvent in perfumes, flavors, medicines, dyes, oils and resins(1). It may be released to the environment as a fugitive emission during its production and use, and as a result of the combustion of agricultural plastics(2).

COMMERCIAL HIGH DENSITY POLYETHYLENE CONTAINERS CONTAINED 42-120 PPM 1-TETRACECENE.

Environmental Biodegradation · 1 Eintrag

Incubation of 1-tetradecene with fungi resulted in the formation of tetradecanoic acid, tetradecen-4-ol, 13-tetradecen-4-ol, tetradecen-3-ol, 13-tetradecene-4-on, tetradecan-2-one and tetradecen-3-one(1-2). Pure cultures of Corynebacterium sp.(3), Pseudomonas aerginosa(4), Micrococcus cerficans(5), and members of the genus Candida(6) were found to oxidize 1-tetradecene under aerobic conditions.

Environmental Bioconcentration · 1 Eintrag

Estimated bioconcentration factors ranging from 17500 to 51000(1,SRC) can be calculated for 1-tetradecene using appropriate regression equations(1) and its estimated water solubility, 4.0X10-4 mg/L at 25 °C(1,SRC) obtained from a vapor pressure of 1.5X10-2 mm Hg at 25 °C(2) and estimated Henry's Law constant of 8.48 atm-cu m/mole at 25 °C(3,SRC), and its estimated octanol/water partition coefficient, 7.3(1,SRC), obtained from its estimated water solubility. These values indicate that 1-tetradecene will bioconcentrate in fish and aquatic organisms(SRC).

Volatilization from Water/Soil · 1 Eintrag

Based on an estimated Henry's Law constant of 8.48 atm-cu m/mole at 25 °C(1,SRC), 1-tetradecene is expected to rapidly volatilize from water and moist soil to the atmosphere. The estimated half-life for volatilization from a model river 1 m deep flowing at 1 m/sec with a wind speed of 3 m/sec is 4.1 hrs(2,SRC). Its expected strong adsorption to soil and sediment may attenuate the rate of this process(SRC). The estimated half-life for volatilization from a model pond, which takes into account adsorptive processes, is 7.3 months(3,SRC). The vapor pressure of 1-tetradecene, 1.5X10-2 mm Hg at 25 °C(4) indicates that volatilization from dry soil will not be an important fate process(SRC).

Non-Human Toxicity Excerpts · 4 Einträge

THE TOXICITY OF N-ALKENES TOWARD CANDIDA TROPICALIS WAS RELATED TO THEIR SOLUBILITIES IN AN AQ MEDIUM. N-ALKENES LONGER THAN C12 GENERALLY DID NOT INHIBIT YEAST GROWTH AND RESPIRATION.

SATURATED FATTY ACIDS CONTAINING EVEN NUMBERS OF CARBON ATOMS WERE SYNTHESIZED BY MICROBES FROM 1-DODECENE & 1-TETRADECDNE. 14-PENTADECENOIC ACID WAS SYNTHESIZED FROM 1-TETRADECENE.

13-TETRADECENOIC ACID WAS ISOLATED FROM CULTURE FLUID OF PSEUDOMONAS AERUGINOSA STRAIN SOL 20 GROWN ON 1-TETRADECENE AS THE SOLE CARBON SOURCE. THIS ACID WAS NOT PRODUCED WHEN N-TETRADECANE WAS THE GROWTH SUBSTRATE.

CELLS GROWN ON 1-TETRADECENE INCORPORATED UNSATURATED SUBSTRATE INTO CELLULAR FATTY ACID AFTER OXIDATION OF THE SATURATED END.

Environmental Abiotic Degradation · 1 Eintrag

An estimated rate constant for the gas-phase reaction of 1-tetradecene with photochemically produced hydroxyl radicals of 4.2X10-13 cu cm/molec sec(1,SRC) translates to an atmospheric half-life of 9.3 hrs(SRC) using an average atmospheric hydroxyl radical concn of 5X10+5 molec/cu cm(1). An estimated rate constant for the gas-phase reaction of 1-tetradecene with ozone of 1.2X10-17 cu cm/molec sec(1,SRC) translates to an atmospheric half-life of 23 hrs(SRC) using an average atmospheric ozone concn of 7X10+11 molec/cu cm(1).

Sicherheitsdaten

F
10-23
wgk
3
tsca
TSCA listed
ridadr
UN 1993 / PGIII
hs_code
29012990
risk_code
36/37-66-65
hazard_code
Xi,Xn
safety_code
26-36-62
Speicherklasse
10 - Combustible liquids
Giftige Stoffe Daten
1120-36-1(Hazardous Substances Data)
Hazard Classifications
Asp. Tox. 1
Selbstentzündungstemperatur
455 °F
Use ClassificationCosmetics -> Emollient
General Manufacturing Information · 2 Einträge

Oil and Gas Drilling, Extraction, and Support activities

1-Tetradecene: ACTIVE

Anwendungen

Verwenden1-Tetradecene is a useful organic building block

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

Cyclotetradecan

Nachgelagerte Produkte

Pentadecan-1-ol2-Tetradecene, (2E)-2-TetradeceneMyristamid1-(Perfluoro-n-octyl)tetradecaneDiethyl 1-tetradecanephosphonate

Ergänzende Hinweise

DefinitionChEBI: An unbranched fourteen-carbon alkene with one double bond between C-1 and C-2.