Ingredient Dictionary

HEXYL METHYL KETONE

2-octanone is a methyl ketone that is octane substituted by an oxo group at position 2.

Definition

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

Source: PubChem

US FDA substance register · UNII J2G84H29AF · registered name 2-OCTANONE · single chemical substance

Source: US FDA Unique Ingredient Identifier (UNII)

Cosmetic roles

Gives the product a scentPERFUMING

Safety & regulatory references

Not classified under Korea’s toxic-substance GHS list · existing chemical substance

Source: Korea toxic substances GHS register (NIER)

More data — names, identifiers, properties, test records, literature

Names & identifiers

HEXYL METHYL KETONEINCI2-OctanoneSynonym

CAS No.chemical registry number: 111-13-7
EC No.EU chemical inventory number: 203-837-1
DTXSIDUS EPA chemical ID: DTXSID4021927
DTXCIDUS EPA compound ID: DTXCID301927

IUPAC: Octan-2-one
Molecular formula: C8H16O
Molecular weight: 128.215 g/mol

Measured properties

Appearance: Liquid, CBI · Colorless liquid with a pleasant odor, [Hawley]
Odour: FATTY, GREEN CHEESE AROMA · FLORAL, BITTER, FRUITY (UNRIPE APPLE)
Boiling point: 173.5 · 173.00 to 175.00 °C. @ 760.00 mm Hg
Melting point: -16 °C · Liquid Molar Volume = 0.157391 cu m/kmol, IG Heat of Formation = -3.2160X10+8 J/kmol, Heat of Fusion at melting point = 2.4419X10+7 J/kmol
Solubility: Miscible with alcohol, ether · 1:9-12 IN 50% ALCOHOL, 1:1-1.7 IN 70% ALCOHOL
Density: 0.820 at 20 °C/4 °C · 0.813-0.819
Stability: Low in volatility
Odour threshold: 248 ppm
Melting/freezing point: -16 ℃
Initial boiling point and range: 174 ℃
Flash point: 56 ℃
Upper/lower flammability or explosive limits: 6.1 / 1 %
Vapour pressure: 1.35 ㎜Hg ( (25 ℃))
Vapour density: 4.41
Relative density: 0.82
n-Octanol/water partition coefficient (Kow): 2.37
Molecular weight: 128.21

Values measured on the substance itself. The KOSHA data are a reference for writing and reviewing safety data sheets, not a specification for a commercial raw material.

Source: PubChem · KOSHA safety data sheets (Korea)

What products actually use it for

What the 40 products reported to the US EPA with this ingredient use it for. Products outside cosmetics are included, so the top few rows are its main uses.

Fragrance38
Flavouring and nutrient2

Source: US EPA CompTox dashboard

Irritation and sensitisation studies

7 skin studies and 3 eye studies are on record.

Classed as highly irritating1Classed as low5

The studies disagree (the most common conclusion covers 17%), so they do not establish that this ingredient is irritating. These tests are on the raw material itself; irritation at the amount in a finished product is a different question.

See all 10 studies

Not classified
Skin Irritation · Screening
Not likely to be sensitizing
skin sensitisation: in vivo (non-LLNA) · Screening · according to other guideline: As mentioned below
Studies Indicate No Significant Irritation
skin irritation: in vivo · Screening · other guideline: as per mentioned below according to
Severe Irritation
skin irritation: in vivo · Screening · other guideline: as per mentioned below according to
Classification not possible
Skin Sensitization · Screening
Studies Indicate No Significant Irritation
skin irritation: in vivo · Screening · other guideline: as mentioned below equivalent or similar to
Not likely to be sensitizing
skin sensitisation · Screening · according to other guideline: As mentioned below
Category 2
Eye Irritation · Screening
Severe Irritation
eye irritation: in vivo · Screening · other guideline: as mentioned below equivalent or similar to
Severe Irritation
eye irritation: in vivo · Screening · other guideline: as mentioned below according to