Skip to main content
CosIng Checker
CosIng Checker
EU cosmetic ingredients, restrictions and safety
Login
CAS 0 records

CAS 106-68-3

CAS 106-68-3 matches 0 EU annex records across Annex II–VI of Regulation 1223/2009.

Check this CAS numberBrowse annexes

Chemical identity and properties

PubChem 2D chemical structure for CAS 106-68-3
CAS 106-68-3PubChem CID 246728

3-Octanone

3-octanone is a dialkyl ketone that is octane in which the two methylene protons at position 3 have been replaced by an oxo group. It has a role as an antifeedant, an insect attractant, a toxin, a biomarker, a plant metabolite, a fungal metabolite and a human urinary metabolite. It derives from a hydride of an octane. — ChEBI

IUPAC name
octan-3-one
Molecular formula
C8H16O
Molecular weight
128.21 g/mol
Exact mass
128.120115130 Da
XLogP3
2.3
Topological polar surface area
17.1 Ų
Hydrogen-bond donors
0
Hydrogen-bond acceptors
1
Covalent units
1
Defined stereocentres
0

Also known as

Ethyl pentyl ketoneEthyl n-pentyl ketoneEthyl n-amyl ketone3-OxooctaneFEMA No. 2803NSC-60161CHEBI:80946RefChem:25868
16 more reported names
203-423-0Amyl ethyl ketoneEthyl n-amylketoneEAKNSC 601612-Heptanone, methyl-3-Octanone (natural)HSDB 5371EINECS 203-423-0UN2271BRN 1700021methylheptanoneAI3-36116CCRIS 88081-ethyl hexanal3-octanon
Open full PubChem recordPubChem annotations3D structure image
External database identifiers

Evidence from additional scientific databases

EMBL-EBI ChEBI
Exact identifier matchCHEBI:80946

3-octanone

A dialkyl ketone that is octane in which the two methylene protons at position 3 have been replaced by an oxo group.

Formula
C8H16O
Average mass
128.215 g/mol
Monoisotopic mass
128.12012 Da
Formal charge
0
  • dialkyl ketone — is a (CHEBI:18044)
  • human urinary metabolite — has role (CHEBI:84087)
  • insect attractant — has role (CHEBI:24850)
  • fungal metabolite — has role (CHEBI:76946)
  • antifeedant — has role (CHEBI:22583)
  • plant metabolite — has role (CHEBI:76924)
  • biomarker — has role (CHEBI:59163)
  • toxin — has role (CHEBI:27026)
  • octane — has parent hydride (CHEBI:17590)
  • human urinary metabolite — has role (CHEBI:84087)
  • insect attractant — has role (CHEBI:24850)
  • fungal metabolite — has role (CHEBI:76946)
  • antifeedant — has role (CHEBI:22583)
  • plant metabolite — has role (CHEBI:76924)
  • biomarker — has role (CHEBI:59163)
  • toxin — has role (CHEBI:27026)
  • dialkyl ketone — is a (CHEBI:18044)
Additional curated names
octan-3-one3-OxooctaneAmyl ethyl ketoneEAKEthyl amyl ketoneEthyl n-amyl ketoneEthyl n-pentyl ketoneEthyl pentyl ketonen-Amyl ethyl ketone
Cross-references from this source

Mapped by: Exact CAS cross-reference in the ChEBI compound record. Source updated: 2023-02-02. Retrieved: 2026-08-31. Open source record

NIH PubChem PUG-View
Exact identifier match246728

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 0.3% (5 of 1778) of reports. Source: European Chemicals Agency (ECHA)
  • Signal: Warning Source: European Chemicals Agency (ECHA)
  • GHS Hazard Statements: H226 (99.7%): 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 1778 reports by companies from 9 notifications to the ECHA C&L Inventory.; Reported as not meeting GHS hazard criteria per 5 of 1778 reports by companies.; There are 8 notifications provided by 1773 of 1778 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]; H315: Causes skin irritation [Warning Skin corrosion/irritation] Source: NITE-CMC
  • Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P264, P280, P302+P352, P303+P361+P353, P321, P332+P317, P362+P364, P370+P378, P403+P235, and P501 (click each P-code to see the statement) Source: NITE-CMC
  • Environmental Bioconcentration: An estimated BCF of 7 was calculated in fish for 3-octanone(SRC), using a water solubility of 2600 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF 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 58(SRC), determined from a water solubility of 2600 mg/L(2) and a regression-derived equation(3), indicates that 3-octanone is expected to have high mobility in soil(SRC). Volatilization of 3-octanone from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 1.3X10-4 atm-cu m/mole(SRC) derived from its vapor pressure, 2.0 mm Hg(2), and water solubility(2). 3-Octanone is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(2). Under aerobic conditions, this compound may biodegrade; 3-octanone at 500 mg/L reached an average of 1.1, 2.0, and 3.4% of the theoretical oxygen demand within 6, 12, and 24 hours when inoculated with activated sludge(4). Source: Hazardous Substances Data Bank (HSDB)
  • Environmental Fate: AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 58(SRC), determined from a water solubility of 2600 mg/L(2) and a regression-derived equation(3), indicates that 3-octanone is not 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 1.3X10-4 atm-cu m/mole(SRC), derived from its vapor pressure, 2.0 mm Hg(2), and water solubility(2). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 11 hours and 6.8 days, respectively(SRC). According to a classification scheme(4), an estimated BCF of 7(SRC), from its water solubility(2) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Under aerobic conditions, this compound may biodegrade; 3-octanone at 500 mg/L reached an average of 1.1, 2.0, and 3.4% of the theoretical oxygen demand within 6, 12, and 24 hours when inoculated with activated sludge(5). 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), 3-octanone, which has a vapor pressure of 2.0 mm Hg at 20 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase 3-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 41 hours(SRC), calculated from its rate constant of 9.3X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). 3-Octanone contains chromophores that absorb at wavelengths >290 nm and therefore may 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
EMBL-EBI ChEBIExact match2026-08-31
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 106-68-3

0 total
No records found for this CAS number.

How CAS 106-68-3 is used on this site

CAS 106-68-3 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 106-68-3 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.