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2-Pentanone chemical structure, C5H10O, CAS 107-87-9
2D chemical structure

Key facts

What buyers check first

Appearance
Colorless liquid
Melting point
-76.8 °C
Boiling point
102.3 °C
Density
Relative density (water = 1): 0.8
Flash point
7 °C
HS code
291419
Category
Ketone and ester solvents
UN number
UN 1249
Illustrative photo, an amber glass solvent bottle with clear liquid on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is 2-Pentanone?

Plain description, key identifiers and synonyms

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.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
pentan-2-one
CAS number
107-87-9 CAS number cross-checked
EC number
203-528-1
Molecular formula
C5H10O
UNII
I97392I10V
MDL number
MFCD00009400
INCI name
PENTANONE
InChIKey
XNLICIUVMPYHGG-UHFFFAOYSA-N
InChI
InChI=1S/C5H10O/c1-3-4-5(2)6/h3-4H2,1-2H3
SMILES (canonical and isomeric)
CCCC(=O)C

Synonyms

  • Pentan-2-one
  • Methyl propyl ketone
  • Ethyl acetone
  • Ethylacetone
  • Methyl n-propyl ketone
  • Propyl methyl ketone
  • Metylopropyloketon
  • Methylpropyl ketone
  • Methyl-propyl-cetone
  • 4-methyl-2-butanone
  • Methyl-n-propyl ketone
  • Pentanone
  • pentanone-2
  • n-propyl methyl ketone
  • n-C3H7COCH3
  • 2-Pentanone (natural)
  • 2-pentanal
  • 3bh3
  • 4-01-00-03271 (Beilstein Handbook Reference)
  • Methyl propyl ketone [UN1249] [Flammable liquid]
  • 2-Pentanone, analytical standard
  • 2-Pentanone, for HPLC, 99.5%
  • 2-Pentanone, >=98%, FCC, FG
  • 2-Pentanone, reagent grade, >=90%
  • UN 1249
Show all 29 synonyms
  • 2-Pentanone, >=99.0%, natural, FG
  • 2-Pentanone, ultrapure grade, >=99.5%
  • 2-Pentanone Solution in Acetonitrile, 100ug/mL
  • 2-Pentanone Solution in Acetonitrile, 1000ug/mL

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

Appearance
Colorless liquidexp.
Odour
Characteristic acetone-like odorexp.
Melting point
-76.8 °Cexp.
Boiling point
102.3 °Cexp.
Density
Relative density (water = 1): 0.8exp.
Flash point
7 °Cexp.
Autoignition temperature
452 °Cexp.
Solubility
In water, 4.3 × 10⁺⁴ mg/L at 25 °Cexp.
Vapour pressure
35.4 mm Hg at 25 °Cexp.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight
86.13 g/molcalc.
Exact mass
86.0732 Dacalc.
LogP (octanol/water)
1.38calc.
Topological polar surface area
17.07 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
1calc.
Rotatable bonds
2calc.
Heavy atoms
6calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.8calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS02: Flammable
Flammable
GHS07: Harmful or irritant
Harmful or irritant
320NFPA 704 rating

Hazard statements

  • H225Highly flammable liquid and vapour.
  • H302Harmful if swallowed.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
Precautionary statements (24)
  • P210Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
  • P233Keep container tightly closed.
  • P240Ground and bond container and receiving equipment.
  • P241Use explosion-proof electrical, ventilating and lighting equipment.
  • P242Use non-sparking tools.
  • P243Take action to prevent static discharges.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P270Do not eat, drink or smoke when using this product.
  • P271Use only outdoors or in a well-ventilated area.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P303 + P361 + P353If on skin (or hair): Take off immediately all contaminated clothing. Rinse skin with water or shower.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P319Get medical help if you feel unwell.
  • P330Rinse mouth.
  • P337 + P317If eye irritation persists: Get medical help.
  • P370 + P378In case of fire: Use appropriate media to extinguish.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P403 + P235Store in a well-ventilated place. Keep cool.
  • P405Store locked up.
  • P501Dispose of contents and container in accordance with local regulations.
UN number
UN 1249
Transport hazard class
3
Packing group
II

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

2-Pentanone suppliers

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Where suppliers are based

40 suppliers in 7 countries

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2-Pentanone price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Synthetic flavor ingredient.

Solvent, substitute for diethyl ketone, flavoring.

Intermediate for cosmetics & pharmaceuticals, solvent for surface coatings, in lacquers & in lacquer removers.

Reported uses (ppm): (FEMA, 1994)

Table: Reported uses (ppm): (FEMA, 1994) [Table#530].

Industrial uses: Solvent, Other.

Cosmetic ingredient, INCI name PENTANONE(solvent)

Roles

  • eukaryotic metabolite
  • metabolite
  • plant metabolite

Functional uses

  • Antioxidant
  • Flavouring and nutrient
  • Fragrance
  • Solvent

Cosmetic functions

  • Solvent

How it is made

Oxidation of pentan-2-ol

Dry distillation of a mixture of calcium acetate & calcium butyrat friedel, annalen, 108, 124, 1858. Also (prepared) by oxidation of sodium or ammonium n-caproate with hydrogen peroxide.

Ethylene + methyl acetoacetate

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • EU cosmetic ingredient inventory

United States

  • TSCA inventory (USA)
    Status: Active in US commerce

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code 2-Pentanone is traded under.

HS 2914.19Indicative HS code

Acyclic ketones without other oxygen function, other

World exports in 2024
$264M
+1.7% vs 2023, imports $308M
2019 to 2024
Top exporters
  1. China27.1%
  2. United States27.0%
  3. Germany10.5%
Top importers
  1. China22.8%
  2. United States13.0%
  3. India * partner reported10.7%

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for 2-Pentanone is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about 2-Pentanone, based on the data on this page

What is 2-Pentanone?

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.

What is the CAS number of 2-Pentanone?

The CAS registry number of 2-Pentanone is 107-87-9.

What is the molecular formula and weight of 2-Pentanone?

The molecular formula of 2-Pentanone is C5H10O and its molar mass is 86.13 g/mol.

What is 2-Pentanone used for?

Synthetic flavor ingredient. Solvent, substitute for diethyl ketone, flavoring. Intermediate for cosmetics & pharmaceuticals, solvent for surface coatings, in lacquers & in lacquer removers. Reported uses (ppm): (FEMA, 1994) Table: Reported uses (ppm): (FEMA, 1994) [Table#530]. Industrial uses: Solvent, Other.

Is 2-Pentanone hazardous?

2-Pentanone carries the GHS signal word "Danger". Main hazards: highly flammable liquid and vapour, harmful if swallowed, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of 2-Pentanone?

2-Pentanone is usually classified under HS code 291419 (Acyclic ketones without other oxygen function, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 2-Pentanone?

CompoundList lists 40 suppliers of 2-Pentanone in United States, China, India, Canada and 3 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy 2-Pentanone in India?

7 suppliers in India list 2-Pentanone on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of 2-Pentanone?

Suppliers quote 2-Pentanone on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle 2-Pentanone

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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