1-Tridecene
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1-Tridecene
structure -
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CAS No:
2437-56-1
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Formula:
C13H26
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Chemical Name:
1-Tridecene
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Synonyms:
1-Tridecene;n-Tridec-1-ene;α-Tridecene;NSC 78473
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CAS No:
Description
clear colorless liquid
Watery colorless liquid with a mild pleasant odor. Less dense than water and insoluble in water. Hence floats on water. (USCG, 1999)|Liquid
Watery colorless liquid with a mild pleasant odor. Less dense than water and insoluble in water. Hence floats on water. (USCG, 1999)|1-Tridecene is an acyclic olefin.
1-Tridecene Basic Attributes
182.351
182.35
219-443-8
5B0U2S314C
78473
DTXSID3029235
COLORLESS, WATERY LIQUID
2901299090
Characteristics
0
6.59 /Estimated/
Watery colorless liquid with a mild pleasant odor. Less dense than water and insoluble in water. Hence floats on water. (USCG, 1999)
0.7658 g/cm3 @ Temp: 20 °C
-13 °C
232.8 °C
Approx 175 deg F
1.434
In water, 3.67X10-2 mg/L @ 25 deg C /Estimated/
6.38X10-2 mm Hg @ 25 deg C /Extrapolated/
MILD PLEASANT
Henry's Law constant: 2.61 atm-cu m/mole @ 25 °C /Estimated/
Hydroxyl radical reaction rate constant: 4.01X10-11 cu cm/molecule sec @ 25 °C /Estimated/
Insoluble in water.
Hydrocarbons, Aliphatic Unsaturated
1-TRIDECENE may react vigorously with strong oxidizers. May react exothermically with reducing agents to release gaseous hydrogen.
-19.048 BTU/LB= -10.582 CAL/G= -443.05X10+5 JOULES/KG
110 BTU/LB = 59 CAL/G = 2.5X10+5 JOULES/KG
Safety Information
NA 1993 / PGIII
2
36
S26-S36
YD4595000
Xi
P305 + P351 + P338
H319
SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational exposure or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal, aquatic, and plant life; and conformance with environmental and public health regulations.
|Danger|H304 (11.36%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]|P264, P280, P301+P310, P305+P351+P338, P331, P337+P313, P405, and P501|Aggregated GHS information provided by 47 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Goggles or face shield. (USCG, 1999)|Goggles or face shield. Ventilation: open (flame arrester).
Extinguish with dry chemical, foam, or carbon dioxide. Water may be ineffective on fire. Cool exposed containers with water.
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.
Liquid irritating to eyes.
Toxicity
1-Tridecene's production and use as an alpha olefin intermediate(1) may result in its release to the environment through various waste streams(SRC).
TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 11,000(SRC), determined from a structure estimation method(2), indicates that 1-tridecene is expected to be immobile in soil(SRC). Volatilization of 1-tridecene from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.61 atm-cu m/mole(SRC), using a fragment constant estimation method(3). The potential for volatilization of 1-tridecene from dry soil surfaces may exist(SRC) based upon a vapor pressure of 6.38X10-2 mm Hg(4). However, adsorption to soil is expected to attenuate volatilization(SRC). Based on biodegradation studies for 1-octadecene, 1-tridecene is also expected to biodegrade in soil(SRC). Using a ready biodegradation test, 1-octadecene was degraded with 39-48% of theoretical oxygen demand being consumed in 28 days(5).|AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 11,000(SRC), determined from a structure estimation method(2), indicates that 1-tridecene is expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon an estimated Henry's Law constant of 2.61 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 1.4 hrs and 5.3 days, respectively(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column(SRC). The estimated volatilization half-life from a model pond is 29 years if adsorption is considered(5). According to a classification scheme(6), an estimated BCF of 750(SRC), from an estimated log Kow of 6.6(7) and a regression-derived equation(8), suggests the potential for bioconcentration in aquatic organisms is high(SRC). Based on biodegradation studies for 1-octadecene, 1-tridecene is also expected to biodegrade in the aqueous environment(SRC). Using a ready biodegradation test, 1-octadecene was degraded with 39-48% of theoretical oxygen demand being consumed in 28 days(9).|ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1-tridecene, which has a vapor pressure of 6.38X10-2 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere(SRC). Vapor-phase 1-tridecene is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals and ozone(SRC); the half-lives for these reactions in air are estimated to be 9.6 hrs and 23 hrs, respectively(SRC). The half-life for reaction with photochemically-produced hydroxyl radicals was calculated from its rate constant of 4.01X10-11 cu cm/molecule-sec at 25 °C(3). The half-life for reaction with photochemically-produced ozone was calculated from its rate constant of 1.20X10-17 cu cm/molecule-sec at 25 °C(3,4).
The rate constant for the vapor-phase reaction of 1-tridecene with photochemically-produced hydroxyl radicals is 4.0X10-11 cu cm/molecule-sec at 25 °C(1). This corresponds to an atmospheric half-life of about 9.6 hours at an atmospheric concentration of 5X10+5 hydroxyl radicals per cu cm(1). The rate constant for the vapor-phase reaction of 1-tridecene with ozone has been estimated as 1.20X10-17 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(1). This corresponds to an atmospheric half-life of about 23 hours at an atmospheric concentration of 7X10+11 ozone molecules per cu cm(2). 1-Tridecene is not expected to undergo hydrolysis in the environment due to the lack of hydrolyzable functional groups(3) nor to directly photolyze due to the lack of absorption in the environmental UV spectrum (>290 nm)(SRC).
An estimated BCF of 750 was calculated for 1-tridecene(SRC), using an estimated log Kow of 6.59(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is high(SRC).
Using a structure estimation method based on molecular connectivity indices(1), the Koc for 1-tridecene can be estimated to be 11,000(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1-tridecene is expected to be immobile in soil(SRC).
The Henry's Law constant for 1-tridecene is estimated as 2.61 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that 1-tridecene is expected to volatilize rapidly from water surfaces(2). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec)(2) is estimated as 1.4 hours(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 5.3 days(SRC). However, volatilization from water surfaces is expected to be attenuated by adsorption to suspended solids and sediment in the water column(SRC). The estimated volatilization half-life from a model pond is 29 years if adsorption is considered(3). 1-Tridecene's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). However, volatilization from moist soil surfaces is expected to be attenuated by adsorption to soil in the water column(SRC). 1-Tridecene is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 6.38X10-2 mm Hg(4).
Occupational exposure to 1-tridecene may occur through inhalation and dermal contact with this compound at workplaces where 1-tridecene is produced or used. (SRC)
Drug Information
5.37 Days
Liquid may irritate eyes. (USCG, 1999)
EYES: flush with water for 15 min. (USCG, 1999)
/SRP:/ Basic treatment: Establish a patent airway. Suction if necessary. Watch for signs of respiratory insufficiency and assist ventilations if necessary Administer oxygen by nonrebreather mask at 10 to 15 L/min. Monitor for pulmonary edema and treat if necessary ... . Anticipate seizures and treat if necessary ... . For eye contamination, flush eyes immediately with water. Irrigate each eye continuously with normal saline during transport ... . Do not use emetics. For ingestion, rinse mouth and administer 5 m/kg up to 200 ml of water for dilution if the patient can swallow, has a strong gag reflex, and does not drool ... . /Hydrocarbon Blends, Mixtures, and Related Compounds/|/SRP:/ Advanced treatment: Consider orotracheal or nasotracheal intubation for airway control in the patient who is unconscious, is in respiratory arrest, or has severe pulmonary edema. Positive pressure ventilation techniques with a bag valve mask device may be beneficial. Monitor cardiac rhythm and treat arrhythmias as necessary ... . Start an IV with D5W /SRP: "To keep open", minimal flow rate/. Use lactated Ringer's if signs of hypovolemia are present. Consider drug therapy for pulmonary edema ... . For hypotension with signs of hypovolemia, administer fluid cautiously. Watch for signs of pulmonary edema ... . Treat seizures with diazepam ... . Use proparacaine hydrochloride to assist eye irrigation ... . /Hydrocarbon Blends, Mixtures, and Related Compounds/
1-tridecene
1-Tridecene Use and Manufacturing
Most linear alpha-olefins are produced from ethylene. ... Ethylene oligomerization can be accomplished in the following commercial processes: (1) stoichiometric chain growth on aluminum alkyls followed by displacement (Albemarle); (2) catalytic chain growth on aluminum alkyls (Chevron-Gulf); (3) catalytic chain growth using nickel ligand catalyst (Shell); and (4) catalytic chain growth using a modified zirconium catalyst (Idemitsu). /alpha-OIefins/
1-Tridecene /is/ ... used as an alpha olefin intermediate ... .
1-Tridecene: ACTIVE
Fatty Acyls [FA] -> Hydrocarbons [FA11]
Computed Properties
Molecular Weight:182.35
XLogP3:7.3
Rotatable Bond Count:10
Exact Mass:182.203450829
Monoisotopic Mass:182.203450829
Heavy Atom Count:13
Complexity:94.2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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