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CAS 111-11-5

CAS 111-11-5 matches 0 EU annex records across Annex II–VI of Regulation 1223/2009.

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Chemical identity and properties

PubChem 2D chemical structure for CAS 111-11-5
CAS 111-11-5PubChem CID 8091

Methyl Octanoate

Methyl octanoate is a fatty acid methyl ester resulting from the formal condensation of the carboxy group of octanoic acid with the hydroxy group of methanol. It has a role as a metabolite. It is a fatty acid methyl ester and an octanoate ester. — ChEBI

IUPAC name
methyl octanoate
Molecular formula
C9H18O2
Molecular weight
158.24 g/mol
Exact mass
158.130679813 Da
XLogP3
3.6
Topological polar surface area
26.3 Ų
Hydrogen-bond donors
0
Hydrogen-bond acceptors
2
Covalent units
1
Defined stereocentres
0

Also known as

Methyl caprylateCaprylic acid methyl esterMethyl n-octanoateOctanoic acid methyl esterOCTANOIC ACID, METHYL ESTERUniphat A20Methyl octylateFEMA No. 2728
16 more reported names
formyl octanoate7MO740X6QLCHEBI:87432NSC-3710RefChem:157976203-835-0methyloctanoateMethyl ester of octanoic acidMethyl octanoate, 99%octanoic acid-methyl esterC08 FAMEn-Caprylic acid methyl esterNatural methyl octanoateS0306WE(1:0/8:0)n-Octanoic Acid Methyl Ester
Open full PubChem recordPubChem annotations3D structure image
External database identifiers

Evidence from additional scientific databases

NIH PubChem PUG-View
Exact identifier match8091

Attributed physical-property, hazard, environmental and use annotations.

  • First Aid: Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:; Refer to the "General First Aid" section. Specific First Aid: Wash skin with soap and water. In case of burns, immediately cool affected skin for as long as possible with cold water. Do not remove clothing if adhering to skin. (ERG, 2024) Source: CAMEO Chemicals
  • Note: This chemical does not meet GHS hazard criteria for 11.3% (206 of 1827) of reports. Source: European Chemicals Agency (ECHA)
  • Signal: Warning Source: European Chemicals Agency (ECHA)
  • GHS Hazard Statements: H317 (88%): May cause an allergic skin reaction [Warning Sensitization, Skin] Source: European Chemicals Agency (ECHA)
  • Precautionary Statement Codes: P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
  • ECHA C&L Notifications Summary: Aggregated GHS information provided per 1827 reports by companies from 7 notifications to the ECHA C&L Inventory.; Reported as not meeting GHS hazard criteria per 206 of 1827 reports by companies.; There are 6 notifications provided by 1621 of 1827 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. Source: European Chemicals Agency (ECHA)
  • Signal: Warning Source: NITE-CMC
  • GHS Hazard Statements: H227: Combustible liquid [Warning Flammable liquids] Source: NITE-CMC
  • Precautionary Statement Codes: P210, P280, P370+P378, P403, and P501 (click each P-code to see the statement) Source: NITE-CMC
  • Environmental Bioconcentration: An estimated BCF of 72 was calculated for methyl n-octanoate(SRC), using an estimated log Kow of 3.32(1,SRC) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is moderate(SRC). Source: Hazardous Substances Data Bank (HSDB)
  • Environmental Fate: TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 1,500(SRC), determined from an estimated log Kow of 3.32(2,SRC) and a regression-derived equation(3), indicates that methyl n-octanoate is expected to have low mobility in soil(SRC). Volatilization of methyl n-octanoate from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 7.83X10-4 atm-cu m/mole(4). Volatilization from dry soil surfaces is not expected to be an important fate process(SRC) based upon a vapor pressure of 0.54 mm Hg(5). Methyl n-octanoate was rapidly oxidized with an activated sludge inoculum(6), suggesting this compound will biodegrade in soil surfaces(SRC). Source: Hazardous Substances Data Bank (HSDB)
  • Environmental Fate: AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 1,500(SRC), determined from an estimated log Kow of 3.32(2,SRC) and a regression-derived equation(3), indicates that methyl n-octanoate is expected to adsorb to suspended solids and sediment in water(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 7.83X10-4 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 2 hours and 5 days, respectively(SRC). A base-catalyzed second-order hydrolysis rate constant of 0.063 L/mole-sec(SRC) was estimated using a structure estimation method(5); this corresponds to half-lives of 3.3 years and 121 days at pH values of 7 and 8, respectively(5). Methyl n-octanoate was rapidly oxidized with an activated sludge inoculum(6), suggesting this compound will biodegrade in water surfaces(SRC). According to a classification scheme(7), an estimated BCF of 72(SRC), from its log Kow(2) and a regression-derived equation(8), suggests the potential for bioconcentration in aquatic organisms is moderate(SRC). Source: Hazardous Substances Data Bank (HSDB)
  • Environmental Fate: ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), methyl n-octanoate, which has a vapor pressure of 0.54 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase methyl n-octanoate 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 2 days(SRC), calculated from its estimated rate constant of 7.1X10-12 cu cm/molecule-sec at 25 °C(3). Methyl n-octanoate may also undergo direct photolysis in the environment since this compound contains a functional group that can absorb UV light greater than 290 nm(4). Source: Hazardous Substances Data Bank (HSDB)

Mapped by: Existing checksum-valid CAS to unique PubChem CID match. Retrieved: 2026-08-31. Open source record

Scientific classifications and hazard annotations provide context and do not replace the market-specific regulatory decision shown above.

Additional source coverage and match status
SourceResultChecked
NIH PubChem PUG-ViewExact match2026-08-31

A recorded no-match is useful evidence that the source was checked; it is not a claim that the substance does not exist elsewhere.

Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.

Records for CAS 111-11-5

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How CAS 111-11-5 is used on this site

CAS 111-11-5 is the Chemical Abstracts Service identifier used to pin this page to a specific substance. In the current dataset, 0 EU annex records share this identifier, which helps you cross-check whether the same substance appears under one regulatory context or several.

Use this page when a supplier specification, SDS or raw-material dossier gives you CAS 111-11-5 and you need to see every linked Annex II–VI record in one place. The entry cards above are the quickest route to concentration limits, warnings, annex placement and product-type conditions.