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CAS 111-13-7

CAS 111-13-7 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 111-13-7
CAS 111-13-7PubChem CID 8093

2-Octanone

2-octanone is a methyl ketone that is octane substituted by an oxo group at position 2. It has a role as a metabolite. — ChEBI

IUPAC name
octan-2-one
Molecular formula
C8H16O
Molecular weight
128.21 g/mol
Exact mass
128.120115130 Da
XLogP3
2.4
Topological polar surface area
17.1 Ų
Hydrogen-bond donors
0
Hydrogen-bond acceptors
1
Covalent units
1
Defined stereocentres
0

Also known as

Hexyl methyl ketoneMethyl hexyl ketonen-Hexyl methyl ketoneMethyl n-hexyl ketone2-OxooctaneFEMA No. 2802FEMA Number 2802J2G84H29AF
16 more reported names
NSC-3712CHEBI:87434RefChem:88855203-837-1Methvlhexanone2-Octanone (natural)HSDB 5545NSC 3712EINECS 203-837-1BRN 0635843UNII-J2G84H29AFAI3-05617octanone-2octane-2-one2- octanonen-C6H13COCH3
Open full PubChem recordPubChem annotations3D structure image
External database identifiers

Evidence from additional scientific databases

NIH PubChem PUG-View
Exact identifier match8093

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

  • Note: This chemical does not meet GHS hazard criteria for 0.8% (15 of 1970) of reports. Source: European Chemicals Agency (ECHA)
  • Signal: Warning Source: European Chemicals Agency (ECHA)
  • GHS Hazard Statements: H226 (99%): Flammable liquid and vapor [Warning Flammable liquids] Source: European Chemicals Agency (ECHA)
  • Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, 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 1970 reports by companies from 15 notifications to the ECHA C&L Inventory.; Reported as not meeting GHS hazard criteria per 15 of 1970 reports by companies.; There are 14 notifications provided by 1955 of 1970 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: H226: Flammable liquid and vapor [Warning Flammable liquids]; H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H336: May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects] Source: NITE-CMC
  • Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P261, P264+P265, P271, P280, P303+P361+P353, P304+P340, P305+P351+P338, P319, P337+P317, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement) Source: NITE-CMC
  • NFPA Health Rating: 1 - Materials that, under emergency conditions, can cause significant irritation. Source: Hazardous Substances Data Bank (HSDB)
  • NFPA Fire Rating: 2 - Materials that must be moderately heated or exposed to relatively high ambient temperatures before ignition can occur. Materials would not under normal conditions form hazardous atmospheres with air, but under high ambient temperatures or under moderate heating could release vapor in sufficient quantities to produce hazardous atmospheres with air. Source: Hazardous Substances Data Bank (HSDB)
  • NFPA Instability Rating: 0 - Materials that in themselves are normally stable, even under fire conditions. Source: Hazardous Substances Data Bank (HSDB)
  • Environmental Bioconcentration: An estimated BCF value of 13 was calculated for 2-octanone(SRC), using a log Kow of 2.37(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF value suggests the potential for bioconcentration in aquatic organisms is low(SRC). Source: Hazardous Substances Data Bank (HSDB)
  • Environmental Fate: TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 460(SRC), determined from a log Kow value of 2.37(2) and a regression-derived equation(3), indicates that 2-octanone is expected to have moderate mobility in soil(SRC). Aerobic biodegradation of this compound is expected. 2-Octanone, inoculated with acclimated sludge, had BOD values from 33%(4) to 48%(5,6) of the theoretical oxygen demand after 5 days incubation. Volatilization of 2-octanone from moist soil surfaces in expected to be an important fate process(SRC) given a Henry's Law constant of 1.88X10-4 atm-cu m/mole(7). 2-Octanone is expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure of 1.35 mm Hg(8). Theoretical BOD values of 33%(8) and 48%(9) suggest that biodegradation may occur in soil(SRC). Source: Hazardous Substances Data Bank (HSDB)
  • Environmental Fate: AQUATIC FATE: Based on a recommended classification scheme(1), an estimated Koc value of 460(SRC), determined from a log Kow value of 2.37(2) and a regression-derived equation(3), indicates that 2-octanone is expected to adsorb to suspended solids and sediment(SRC). In water, 2-octanone has a measured volatilization flux of 40 g/min/sq m; some attenuation of this process is expected due to the gas-film interface(4). A measured Henry's Law constant of 1.88X10-4 atm-cu m/mole(5) also indicates that this compound will volatilize from water surfaces. Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 5 hours and 6 days, respectively(SRC). According to a classification scheme(6), an estimated BCF of 13(SRC), from its log Kow(2), and a regression-derived equation(7), suggests the potential for bioconcentration in aquatic organisms is low. 2-Octanone is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(3). Theoretical BOD values of 33%(8) and 48%(9,10) suggest that biodegradation may occur in water(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), 2-octanone, which has a vapor pressure of 1.35 mm Hg at 25 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 2-octanone 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 1.6 days(3). 2-Octanone does not contain chromophores that absorb at wavelengths >290 nm and therefore is not expected to be susceptible to direct photolysis by sunlight(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 111-13-7

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How CAS 111-13-7 is used on this site

CAS 111-13-7 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 111-13-7 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.