Pentan-3-one is a pentanone that is pentane carrying an oxo group at position 3.
Definition
Pentan-3-one is a pentanone that is pentane carrying an oxo group at position 3. It has been isolated from Triatoma brasiliensis and Triatoma infestans. It has a role as an animal metabolite.
Source: PubChem
US FDA substance register · UNII 9SLZ98M9NK · registered name DIETHYL KETONE · single chemical substance
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
- 96-22-0
- EC No.EU chemical inventory number
- 202-490-3
- DTXSIDUS EPA chemical ID
- DTXSID6021820
- DTXCIDUS EPA compound ID
- DTXCID301820
- IUPAC
- Pentan-3-one
- Molecular formula
- C5H10O
- Molecular weight
- 86.134 g/mol
Measured properties
- Appearance
- Diethyl ketone appears as a clear colorless liquid with an acetone-like odor. Flash point 55 °F. Less dense than water. Vapors heavier than air. · Liquid
- Odour
- Acetone odor
- Boiling point
- 216 °F at 760 mmHg (USCG, 1999) · 101.7 °C
- Melting point
- -44 °F (USCG, 1999) · -39 °C
- Solubility
- 5 % (NIOSH, 2024) · Solubility at 20 °C: 2.6 wt% water in 3-pentanone
- Density
- 0.8159 at 66.2 °F (USCG, 1999) - Less dense than water, will float · 0.8098 g/cu cm at 25 °C
- Viscosity
- 0.444 mPa s at 25 °C · 0.6 mm²/s
- Colour
- colourless
- Odour threshold
- 14 ppm
- Melting/freezing point
- -39 ℃
- Initial boiling point and range
- 101.7 ℃
- Flash point
- 13 ℃(O.C.)
- Evaporation rate
- &, gt, 2
- Upper/lower flammability or explosive limits
- 3 / 1.6 %
- Vapour pressure
- 37.7 ㎜Hg(25℃)
- Water solubility
- 47000 ㎎/ℓ(20℃)
- Vapour density
- 3
- Relative density
- 0.85 (25℃)
- n-Octanol/water partition coefficient (Kow)
- 0.99
- Auto-ignition temperature
- 452 ℃
- Decomposition temperature
- 3100.2 K(25℃, kJ/mole)
- Molecular weight
- 86.13
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 5 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.
- Fragrance2
- Intermediate1
- Flavouring and nutrient1
- Solvent1
Source: US EPA CompTox dashboard
Irritation and sensitisation studies
3 skin studies and 4 eye studies are on record.
The study conclusions largely agree (100%). These tests are on the raw material itself; irritation at the amount in a finished product is a different question.
See all 7 studies
- Category 6.3B (Category 3)
Skin Irritation · Read Across - Not classified
Skin Irritation · Screening - Classification not possible
Skin Sensitization · Screening - Severe Irritation
eye irritation: in vivo · Screening · OECD Guideline 405 (Acute Eye Irritation / Corrosion) equivalent or similar to - Category 2A
Eye Irritation · Screening - Category 6.4A (Category 2A)
Eye Irritation · Read Across - Serious eye damage/eye irritation - Category 2
Eye Irritation · Screening
Source: US EPA CompTox dashboard
Linked databases 15
- 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
- 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 · Japanese · Chinese