Pentan-2-one is a pentanone carrying an oxo substituent at position 2.
Definition
Pentan-2-one is a pentanone carrying an oxo substituent at position 2. It has a role as a plant metabolite. It is a pentanone and a methyl ketone.
Source: PubChem
US FDA substance register · UNII I97392I10V · registered name METHYL PROPYL KETONE · single chemical substance
Pentanone is the organic compound that conforms to the formula:
Cosmetic roles
Safety & regulatory references
Not classified under Korea’s toxic-substance GHS list · existing chemical substance
More data — names, identifiers, properties, test records, literature
Names & identifiers
- CAS No.chemical registry number
- 107-87-9
- EC No.EU chemical inventory number
- 203-528-1
- DTXSIDUS EPA chemical ID
- DTXSID0021888
- DTXCIDUS EPA compound ID
- DTXCID301888
- IUPAC
- Pentan-2-one
- Molecular formula
- C5H10O
- Molecular weight
- 86.134 g/mol
Measured properties
- Appearance
- Methyl propyl ketone appears as a clear colorless liquid with the odor of fingernail polish. Flash point 45 °F. Less dense than water and soluble in water. Hence floats on water. Density 0.809 g / cm3. Vapors heavier than air. · Liquid
- Odour
- Characteristic acetone-like odor
- Boiling point
- 212 to 214 °F at 760 mmHg (NTP, 1992) · 102.26 °C
- Melting point
- -108 °F (NTP, 1992) · -76.8 °C
- Solubility
- 10 to 50 mg/mL at 72 °F (NTP, 1992) · Slightly soluble in carbon tetrachloride
- Density
- 0.809 at 68 °F (USCG, 1999) - Less dense than water, will float · 0.809 at 20 °C/4 °C
- Melting/freezing point
- -100 ℃
- Initial boiling point and range
- 102.7 ℃
- Flash point
- 8 ℃
- Evaporation rate
- 1.25
- Upper/lower flammability or explosive limits
- 8.2 / 1.5 %
- Vapour pressure
- 206 ㎩ (20℃)
- Water solubility
- 72.6 (20℃, g/L)
- Vapour density
- 3
- Relative density
- 0.806 (20℃)
- n-Octanol/water partition coefficient (Kow)
- 0.857 (ph 7, 20℃)
- Auto-ignition temperature
- 450 ℃
- Viscosity
- 0.607 (25℃, mPa s)
- Molecular weight
- 80.1323
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 10 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.
- Solvent3
- Fragrance2
- Processing aids not otherwise specified2
- Flavouring and nutrient2
- Antioxidant1
Source: US EPA CompTox dashboard
Irritation and sensitisation studies
4 skin studies and 5 eye studies are on record.
The studies disagree (the most common conclusion covers 50%), 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 9 studies
- Moderate or Mild Irritation
skin irritation: in vivo · Screening · OECD Guideline 404 (Acute Dermal Irritation / Corrosion) equivalent or similar to - Not classified
Skin Irritation · Screening - Category 6.3B (Category 3)
Skin Irritation · Read Across - Classification not possible
Skin Sensitization · Screening - Category 6.4A (Category 2A)
Eye Irritation · Read Across - Category 2
Eye Irritation · Screening - Serious eye damage/eye irritation - Category 2
Eye Irritation · Screening - Moderate or Mild Irritation
eye irritation: in vivo · Screening · OECD Guideline 405 (Acute Eye Irritation / Corrosion) equivalent or similar to - Severe Irritation
eye irritation: in vivo · Screening · EPA OTS 798.4500 (Acute Eye Irritation) according to
Source: US EPA CompTox dashboard
Related literature
- Quantification of cancer biomarkers in urine using volatilomic approach · 2024
- Update to RIFM fragrance ingredient safety assessment, 2-heptanone, CAS Registry Number 110-43-0. · 2025
- Genetic Variation of Resistant Staphylococcus Aureus Isolates and Their Susceptibility to the Antimicrobial Activity of Some Plant and Algal Extracts. · 2024
- Multiple liquid‐liquid extraction of dissolved compounds in immortelle hydrosol with four different solvents · 2023
- Evaluation of Euphorbia poissonii pax for the formulation of an -incapacitating agent · 2023
Linked databases 16
- Australian Industrial Chemicals Inventory (AICIS)
- ChEBI
- ChEMBL
- EU CosIng ingredient list 2
- Korea toxic substances GHS register (NIER)
- KOSHA safety data sheets (Korea)
- NIST Chemistry WebBook
- PubChem 2
- Tlooto literature search 2 3 4 5
- UniChem cross-reference IDs
- US EPA CompTox dashboard 2
- US EPA DSSTox chemical database
- US FDA substance registration (GSRS)
- US FDA Unique Ingredient Identifier (UNII)
- Wikidata
- Wikipedia · Korean · English · Chinese