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Esters and lactones

Propyl hexanoate

Also known as Propyl caproate, Hexanoic acid, propyl ester, Propyl hexanoate (natural)

CAS 626-77-7Formula C9H18O2Molar mass 158.24 g/molEC 210-963-0
GHS signal word: Warning. Pictograms: Flammable 4 suppliers listed
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Propyl hexanoate chemical structure, C9H18O2, CAS 626-77-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
626-77-7
Formula
C9H18O2
Molar mass
158.24 g/mol
Physical form
Liquid
HS code
291590
Category
Esters and lactones
Illustrative photo, closed amber glass reagent bottles on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is Propyl hexanoate?

Plain description, key identifiers and synonyms

Propyl hexanoate is a hexanoate ester obtained by the formal condensation of the carboxy group of hexanoic acid (caproic acid) with propan-1-ol. It has a role as a metabolite. It is functionally related to a propan-1-ol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
propyl hexanoate
CAS number
626-77-7 CAS number cross-checked
EC number
210-963-0
Molecular formula
C9H18O2
UNII
30A840S94U
MDL number
MFCD00053803
InChIKey
HTUIWRWYYVBCFT-UHFFFAOYSA-N
InChI
InChI=1S/C9H18O2/c1-3-5-6-7-9(10)11-8-4-2/h3-8H2,1-2H3
SMILES (canonical and isomeric)
CCCCCC(=O)OCCC

Synonyms

  • Propyl caproate
  • Hexanoic acid, propyl ester
  • Propyl hexanoate (natural)
  • 1-Propyl N-caproate
  • Propyl caproic acid
  • Propyl hexanoic acid
  • Caproate propyl ester
  • Hexanoate propyl ester
  • Propionyl hexanoic acid
  • Caproic acid propyl ester
  • n-Propyl hexanoate
  • Hexanoic Acid Propyl Ester
  • n-Propyl n-hexanoate
  • propylhexanoate
  • caproic acid propyl ester grade I
  • propionyl hexanoate
  • n-propyl hexanoaten
  • Caproic acid propylester
  • caproyl acid propyl ester
  • Propyl hexanoate, >=98%, FG
  • WE(3:0/6:0), propionyl hexanoate
  • SFE 3:0/6:0
  • Propyl hexanoate, natural, >=95%, FG
  • WE(3:0/6:0)
  • Ropyl hexanoate Solution in Acetonitrile, 100ug/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

Physical form
Liquidexp.

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
158.24 g/molcalc.
Exact mass
158.1307 Dacalc.
LogP (octanol/water)
2.52calc.
Topological polar surface area
26.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
6calc.
Heavy atoms
11calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.89calc.
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
Warning
GHS02: Flammable
Flammable

Hazard statements

  • H226Flammable liquid and vapour.
Precautionary statements (11)
  • 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.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P303 + P361 + P353If on skin (or hair): Take off immediately all contaminated clothing. Rinse skin with water or shower.
  • P370 + P378In case of fire: Use appropriate media to extinguish.
  • P403 + P235Store in a well-ventilated place. Keep cool.
  • P501Dispose of contents and container in accordance with local regulations.

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

Propyl hexanoate suppliers

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All 4 suppliers
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Where suppliers are based

4 suppliers in 1 country

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Propyl hexanoate 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

Roles

  • metabolite

Functional uses

  • Flavouring and nutrient
  • Fragrance

Regulatory status

Inventories, regulations and trade controls that list this substance

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 Propyl hexanoate is traded under.

HS 2915.90Indicative HS code

Saturated acyclic monocarboxylic acids, anhydrides, halides, peroxides, peroxyacids and halogenated…

World exports in 2024
$3.42B
+5.6% vs 2023, imports $3.55B
2019 to 2024
Top exporters
  1. Indonesia15.9%
  2. Germany13.0%
  3. Malaysia12.4%
Top importers
  1. China14.4%
  2. Netherlands11.7%
  3. United States11.5%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Propyl hexanoate, based on the data on this page

What is Propyl hexanoate?

Propyl hexanoate is a hexanoate ester obtained by the formal condensation of the carboxy group of hexanoic acid (caproic acid) with propan-1-ol. It has a role as a metabolite. It is functionally related to a propan-1-ol.

Is Propyl hexanoate hazardous?

Propyl hexanoate carries the GHS signal word "Warning". Main hazards: flammable liquid and vapour. This summary is not an SDS, always read the supplier safety data sheet.

Guides for buyers

Practical guides that help when you source, ship or handle Propyl hexanoate

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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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