1-Octene

log Kow= 4.57

4.57

3.5/4.6

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

0.7149 @ 20 °C/4 °C

Density: 0.7149 /1-Octene/; 0.7199 g/cu cm @ 20 °C /2-Octene (E)/; 0.7243 g/cu cm @ 20 °C /2-Octene (Z)/; 0.7152 g/cu cm @ 20 °C /3-Octene (E)/; 0.7159 g/cu cm @ 20 °C /3-Octene (Z)/; 0.7141 g/cu cm @ 20 °C /4-Octene (E)/; 0.7212 g/cu cm @ 20 °C /4-Octene (Z)/

Relative density (water = 1): 0.7

0.718-0.722

0.71 @25 °C

0.656 cSt at 20 °C

Colorless liquid

Miscible with ethanol, ether

Miscible in ethanol; soluble in ethyl ether and acetone

In water, 4.1 mg/l @ 25 °C

0.0041 mg/mL at 25 °C

Solubility in water, g/100ml at 25 °C: 0.0004

Practically insoluble to insoluble

70 °F (USCG, 1999)

10 °C

70 °F (21 °C) (OPEN CUP)

10 °C c.c.

250.3 °F at 760 mmHg (USCG, 1999)

121.2 °C @ 760 mm Hg

Boiling point: 121.2 °C /1-Octene/; 125 °C /2-Octene (E)/; 125.6 °C /2-Octene (Z)/; 123.3 °C /3-Octene (E)/; 122.9 °C /3-Octene (Z)/ 122.3 °C /4-Octene (E)/; 122.5 °C /4-Octene (Z)/

123 °C

121 -122 °C

121.2 °C @760 [mm Hg]

-151 °F (USCG, 1999)

-101.7 °C

Melting point: -101.7 °C /1-Octene/; -87.7 °C /2-Octene (E)/; -100.2 °C /2-Octene (Z)/; -110 °C /3-Octene (E)/; -126 °C /3-Octene (Z)/; -93.8 °C /4-Octene (E)/; -118.7 °C /4-Octene (Z)/

-101.7 °C

-102 °C

-101.7 °C

3.87 (AIR= 1)

Relative vapor density (air = 1): 3.9

Odor Threshold Low: 0.0005 [ppm]；[ICSC] Odor threshold (detection) from CHEMINFO

17.4 [mmHg]

2.03 [mmHg]

17.4 mm Hg @ 25 °C

Vapor pressure, kPa at 20 °C: 2

17.4 [mm Hg] @25 °C

Index of refraction: 1.4062 @ 25 °C

Index of refraction: 1.4087 20 °C /1-Octene/; 1.4132 20 °C /2-Octene (E)/; 1.4150 20 °C /2-Octene (Z)/; 1.4126 20 °C /3-Octene (E)/; 1.4135 20 °C /3-Octene (Z)/; 1.4114 20 °C /4-Octene (E)/; 1.4148 20 °C /4-Octene (Z)/

1.413-1.416

This chemical does not meet GHS hazard criteria for 5.1% (102 of 2014) of reports.

Danger

H225 (94.9%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H304 (94.8%): May be fatal if swallowed and enters airways [Danger Aspiration hazard]；H315 (17.7%): Causes skin irritation [Warning Skin corrosion/irritation]；H411 (17.7%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]

P210, P233, P240, P241, P242, P243, P264, P273, P280, P301+P316, P302+P352, P303+P361+P353, P321, P331, P332+P317, P362+P364, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2014 reports by companies from 23 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 102 of 2014 reports by companies.；There are 22 notifications provided by 1912 of 2014 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.

Chemical: 1-Octene

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

1-Octene is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Octene 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)

Octene is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octene 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: 04-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15355；Status: Active Update: 06-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/32465

Status: Active Update: 13-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/12223

IMAP assessments - 1-Octene: Environment tier I assessment；IMAP assessments - 1-Octene: Human health tier I assessment

Flammable Liquid

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:；HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids will float on water. Substance may be transported hot. For hybrid vehicles, ERG Guide 147 (lithium ion or sodium ion batteries) or ERG Guide 138 (sodium batteries) should also be consulted. If molten aluminum is involved, refer to ERG Guide 169. (ERG, 2024)

Highly flammable. Vapour/air mixtures are explosive.

FIRE HAZARD: DANGEROUS, WHEN EXPOSED TO HEAT OR FLAME OR OXIDIZERS.

Generally low toxicity. Mildly anesthetic at high vapor concentrations. May irritate eyes. (USCG, 1999)

Inhalation of high concentrations can cause CNS depression; [ICSC] Forms explosive mixtures with air and will ignite at room temperature; [CHEMINFO] May cause irritation; Defats the skin; Inhalation of high concentrations can cause CNS depression; [MSDSonline] In animal experiments, causes CNS depression after acute inhalation and evidence of liver and kidney injury after subchronic feeding; [AIHA]

May be a skin irritant; [HSDB] See 1-Octene.

Hydrocarbons, Aliphatic Unsaturated

UN Hazard Class: 3; UN Pack Group: II

Highly Flammable

1-OCTENE 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.

The substance can presumably form explosive peroxides. Reacts with strong oxidants. Attacks rubber, paints and lining materials.

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:；CAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient. CAUTION: For mixtures containing alcohol or polar solvent, alcohol-resistant foam may be more effective.；SMALL FIRE: Dry chemical, CO2, water spray or regular foam. If regular foam is ineffective or unavailable, use alcohol-resistant foam.；LARGE FIRE: Water spray, fog or regular foam. If regular foam is ineffective or unavailable, use alcohol-resistant foam. Avoid aiming straight or solid streams directly onto the product. If it can be done safely, move undamaged containers away from the area around the fire.；FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. For petroleum crude oil, do not spray water directly into a breached tank car. This can lead to a dangerous boil over. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. For massive fire, use unmanned master stream devices or monitor nozzles; if this is impossible, withdraw from area and let fire burn. (ERG, 2024)

Use dry powder, foam, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

Fresh air, rest.

Remove contaminated clothes. 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.

INHALATION: remove from exposure; support respiration.；INGESTION: do NOT induce vomiting. (USCG, 1999)

Fireproof. Separated from strong oxidants. Keep in the dark. Cool. Store in an area without drain or sewer access.

FOAM, CARBON DIOXIDE, DRY CHEMICAL.

... SHOULD BE STORED IN A COOL, WELL-VENTILATED PLACE, OUT OF THE DIRECT RAYS OF SUN, AWAY FROM AREAS OF HIGH FIRE HAZARD, AND SHOULD BE PERIODICALLY INSPECTED & MONITORED.

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:；ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean, non-sparking tools to collect absorbed material.；LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2024)

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.

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Ventilation. Remove all ignition sources. Collect leaking and spilled liquid in covered containers as far as possible. Absorb remaining liquid in dry sand or inert absorbent. Then store and dispose of according to local regulations. Do NOT wash away into sewer. Do NOT let this chemical enter the environment.

VENTILATION CONTROL: THE BASIC ... METHODS ARE LOCAL EXHAUST VENTILATION & DILUTION OR GENERAL VENTILATION.

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.

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:；IMMEDIATE PRECAUTIONARY MEASURE: Isolate spill or leak area for at least 50 meters (150 feet) in all directions.；LARGE SPILL: Consider initial downwind evacuation for at least 300 meters (1000 feet).；FIRE: If tank, rail tank car or highway tank is involved in a fire, ISOLATE for 800 meters (1/2 mile) in all directions; also, consider initial evacuation for 800 meters (1/2 mile) in all directions. (ERG, 2024)

Wear safety spectacles.

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 507(SRC), determined from a structure estimation method(2), indicates that 1-octene should have low to moderate mobility in soil(SRC). Volatilization of 1-octene from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 0.627 atm-cu m/mole(SRC) from its vapor pressure, 17.4 mm Hg(3), and water solubility, 4.1 mg/l(4). The potential for volatilization of 1-octene from dry soil surfaces may exist(SRC) based upon a vapor pressure of 17.4 mm Hg(3). However, adsorption to soil is expected to attenuate volatilization(SRC). Based on pure culture studies, 1-octene has the potential to biodegrade under aerobic conditions in soil(5,6).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 510(SRC), determined from an estimation method(2), indicates that 1-octene should 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 0.627 atm-cu m/mole(SRC) from its vapor pressure, 17.4 mm Hg(4), and water solubility, 4.1 mg/l(5). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 3.1 hours and 4.2 days, respectively(SRC). The volatilization half-life from a model pond 2 m deep is estimated to be 37 hrs ignoring adsorption; when considering maximum adsorption, the volatilization half-life increases to 95 hrs(6). According to a classification scheme(7), a BCF of 660(SRC) estimated from its log Kow of 4.57(8) and a regression-derived equation(9), suggests the potential for bioconcentration in aquatic organisms is high. Based on pure culture studies, 1-octene has the potential to biodegrade under aerobic conditions in water(10,11).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), 1-octene, which has a vapor pressure of 17.4 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 1-octene 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 3.9 hrs(SRC), calculated from its rate constant of 3.X10-11 cu cm/molecule-sec at 25 °C(3) determined using a structure estimation method(3). Vapor-phase 1-octene is also degraded in the atmosphere by reaction with ozone molecules(SRC); the half-life for this reaction in air is estimated to be 23 hrs(SRC), calculated from its rate constant of 1.2X10-17 cu cm/molecule-sec at 25 °C(3) determined using a structure estimation method(3).

1-Octene has been identified as a volatile in heated peanut oil(1), beef(2,3), chick peas(4), and fried chicken(5). 1-Octene was detected as an emission from hot rape seed oil(6).

Neurotoxin - Acute solvent syndrome；Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

Neurotoxin - Acute solvent syndrome；Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.

The substance can be absorbed into the body by inhalation of its vapour.

Drowsiness. Dizziness.

Dry skin.

1-Octene was detected in one of 10 influent samples at waste water treatment plants (POTWs) in the Great Lakes basin at a concn of <1 ppb(1). Exhaust from turbojet engines operated at simulated high-altitude flight conditions 0.06-36.1 ppmC (ppm carbon) of 1-octene(2). It was identified as a volatile emission from gasoline(3).

The substance is toxic to aquatic organisms. Bioaccumulation of this chemical may occur in aquatic organisms.

Using a structure estimation method based on molecular connectivity indices(1), the Koc for 1-octene can be estimated to be 510(SRC). According to a classification scheme(2), this estimated Koc value suggests that 1-octene is expected to have a low to moderate mobility in soil.

URBAN/SUBURBAN: 1-octene was qualitatively detected in air samples collected in Riverside, CA, 1990(1). It was qualitatively detected in roadside ambient air samples, date and location not provided(2). 1-Octene was qualitatively detected in samples taken in the Allegheny Mountain Tunnel of the Pennsylvania Turnpike, 1979(3).

INDOOR AIR: 1-Octene was listed as a volatile organic compound frequently found in new and renovated buildings(1).

In humans, they cause headache, inability to pay sustained attention, vertigo, nausea, and CNS depression. Octenes may be more irritant to mucous membranes, skin, and eyes than the lower homologues. /Octenes/

Octenes, when ingested, may rapidly be aspirated into the lungs and may act as a simple asphyxiant. /Octenes/

1-Octene's production and use in the manufacture of high density polyethylene, linear low density polyethylene, plasticizers and surfactants(1) may result in its release to the environment through various waste streams(SRC). 1-Octene is emitted in auto exhaust, by turbines, and in brewing(1). It is also a volatile emission from gasoline(2). 1-Octene was identified in emissions in which the field burning of agricultural plastic was simulated in laboratory experiments(3).

AEROBIC: Pure culture studies using Cornynebacterium sp(1) and various strains of Pseudomonas(2-5) were found to oxidize 1-octene indicating that it has the potential to biodegrade under aerobic conditions(SRC). 1,2-Epoxyoctane was identified as a product of the pure culture oxidations(5,6).

Chemical: 1-Octene

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

1-Octene is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Octene 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)

Octene is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of Octene 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: 04-04-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/15355；Status: Active Update: 06-04-2022 https://echa.europa.eu/registration-dossier/-/registered-dossier/32465

Status: Active Update: 13-12-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/12223

IN THE PRESENCE OF 4,5-EPOXY-N-OCTANE, 1,2-EPOXY-N-OCTANE AND N-OCTANE-1,2-DIOL WERE PRODUCED FROM N-1 OCTENE. THESE EPOXIDES WERE CAPABLE OF INHIBITING EPOXY HYDROLASE IN VITRO.

1-BUTANOL & GAMMA-BUTYROLACTONE INDUCED 1-OCTENE EPOXIDATION OF PSEUDOMONAS AERUGINOSA CELLS.

BINDING WAS INVESTIGATED OF DIFFERENT 1-ALKENES TO CYTOCHROME P450 IN MICROSOMES FROM F344 RATS.

All octenes are metabolically hydroxylated, conjugated, and excreted from the mammalian system. /Octenes/

Membrane

Used as a plasticizer, in surfactants, and as a co-monomer in the production of polyethylene; [HSDB]

Present in gasoline and emitted in exhausts of automobiles, turbines, and breweries; Detected in food, e.g., hot cooking oils; Octene includes the following isomers: 1-Octene, 2-Octene (E), 2-Octene (Z), 3-Octene (E), 3-Octene (Z), 4-Octene (E), 4-Octene (Z); Used to make polymers, surfactants, and detergents; 1-Octene used as a chemical intermediate, plasticizer, surfactant, and comonomer to produce polyethylene; [HSDB] Di-n-butene (25377-83-7) is a mixture of octenes with boiling points in the range of 116-126 deg C; [Ullmann].

Organic synthesis, plasticizer, surfactants

As a comonomer in the production of high density polyethylene and linear low density polyethylene. The addition of 1-octene is used to modify the density and other properties of the polymer.

Used in the polymer, surfactant and detergent industries

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

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

2023: 1,000,000,000 - <2,500,000,000 lb；2022: 550,000,000 - <700,000,000 lb；2021: 400,000,000 - <550,000,000 lb；2020: 400,000,000 - <550,000,000 lb

2023: 1,000,000 - <8,500,000 lb；2022: 1,000,000 - <8,500,000 lb；2021: 1,000,000 - <8,500,000 lb；2020: 1,000,000 - <8,500,000 lb

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

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

(1979) 6.8x10+9 G (ESTIMATED)

(1981) 6.8-9.1x10+9 G (ESTIMATED)

Lubricating agent；Monomers；Intermediate

Intermediate；Lubricating agent；Monomers

Fuel；Not Known or Reasonably Ascertainable

/Prepared/ ... from appropriate alkylmagnesium bromide & allyl bromide or chloride ... From formaldehyde or paraformaldehyde & triphenyl(phenylmethylene)phosphorane ...

/Prepared/ ... by catalytic dehydration of 2-octanol ...

REACTION OF BUTYLENES OR LOW MOLECULAR WEIGHT OLEFINIC REFINERY STREAMS (USUALLY CONTAINING BUTYLENES) OVER A PHOSPHORIC ACID CATALYST TO FORM POLYGAS, FOLLOWED BY FRACTIONATION

Grades: 95%, 99% research

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

All Other Chemical Product and Preparation Manufacturing；Adhesive Manufacturing；Plastics Material and Resin Manufacturing；All Other Basic Organic Chemical Manufacturing；Petrochemical Manufacturing；Petroleum Lubricating Oil and Grease Manufacturing

Petroleum Refineries；Other (requires additional information)；Petrochemical Manufacturing

1-Octene: ACTIVE

Octene: ACTIVE