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Aromatic building blocks

2-Hexanoylbenzoic acid

Also known as Benzoic acid, o-hexanoyl, 2-(1-Oxohexyl)benzoic acid, Benzoic acid, 2-(1-oxohexyl)

CAS 857538-11-5Formula C13H16O3Molar mass 220.27 g/mol
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2-Hexanoylbenzoic acid chemical structure, C13H16O3, CAS 857538-11-5
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
857538-11-5
Formula
C13H16O3
Molar mass
220.27 g/mol
HS code
291830
Category
Aromatic building blocks

What is 2-Hexanoylbenzoic acid?

Plain description, key identifiers and synonyms

2-Hexanoylbenzoic acid is a chemical substance with the molecular formula C13H16O3 and a molar mass of 220.27 g/mol. Its CAS registry number is 857538-11-5.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-hexanoylbenzoic acid
CAS number
857538-11-5
Molecular formula
C13H16O3
UNII
4R3VVB6HBX
InChIKey
FNNFFONWVVWVJD-UHFFFAOYSA-N
InChI
InChI=1S/C13H16O3/c1-2-3-4-9-12(14)10-7-5-6-8-11(10)13(15)16/h5-8H,2-4,9H2,1H3,(H,15,16)
SMILES (canonical and isomeric)
CCCCCC(=O)C1=CC=CC=C1C(=O)O

Synonyms

  • Benzoic acid, o-hexanoyl
  • 2-(1-Oxohexyl)benzoic acid
  • Benzoic acid, 2-(1-oxohexyl)

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

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

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
220.27 g/molcalc.
Exact mass
220.1099 Dacalc.
LogP (octanol/water)
3.15calc.
Topological polar surface area
54.37 Ųcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
6calc.
Heavy atoms
16calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.39calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

Murcko scaffold of this chemical, c1ccccc1

c1ccccc1

1 ring, 6 atoms, the Benzene ring system.

485,677 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

2-Hexanoylbenzoic acid suppliers

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2-Hexanoylbenzoic acid price

Indicative price range per kg from live supplier offers

No published prices right now

Suppliers quote this chemical on request. Send one free request and compare quotes side by side.

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Uses and applications

What the substance is used for, by industry and function

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

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

HS 2918.30Indicative HS code

Carboxylic acids with aldehyde or ketone function but without other oxygen function…

World exports in 2024
$813M
−39.8% vs 2023, imports $1.23B
2019 to 2024
Top exporters
  1. China43.3%
  2. India * partner reported10.4%
  3. United States6.8%
Top importers
  1. Singapore33.1%
  2. Germany7.2%
  3. Japan6.9%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is 2-Hexanoylbenzoic acid?

2-Hexanoylbenzoic acid is a chemical substance with the molecular formula C13H16O3 and a molar mass of 220.27 g/mol. Its CAS registry number is 857538-11-5.

What is the CAS number of 2-Hexanoylbenzoic acid?

The CAS registry number of 2-Hexanoylbenzoic acid is 857538-11-5.

What is the molecular formula and weight of 2-Hexanoylbenzoic acid?

The molecular formula of 2-Hexanoylbenzoic acid is C13H16O3 and its molar mass is 220.27 g/mol.

What is 2-Hexanoylbenzoic acid used for?

Known uses and roles of 2-Hexanoylbenzoic acid include building blocks in research and laboratory and screening compounds in research and laboratory.

Is 2-Hexanoylbenzoic acid hazardous?

No GHS hazard classification for 2-Hexanoylbenzoic acid is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of 2-Hexanoylbenzoic acid?

2-Hexanoylbenzoic acid is usually classified under HS code 291830 (Carboxylic acids with aldehyde or ketone function but without other oxygen function…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy 2-Hexanoylbenzoic acid?

Post a free request on CompoundList and suppliers of 2-Hexanoylbenzoic acid will send you quotes. Your contact details stay private until you accept a quote.

What is the price of 2-Hexanoylbenzoic acid?

Suppliers quote 2-Hexanoylbenzoic acid 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-Hexanoylbenzoic acid

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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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