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Synthetic aroma chemicals

Hexyl benzoate

Also known as Benzoic acid, hexyl ester, n-Hexyl benzoate, Benzoic acid n-hexyl ester

CAS 6789-88-4Formula C13H18O2Molar mass 206.29 g/molEC 229-856-5
5 suppliers listed
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Hexyl benzoate chemical structure, C13H18O2, CAS 6789-88-4
2D chemical structure

Key facts

What buyers check first

All properties
Physical form
Liquid
Boiling point
272 °C
Density
0.979 at 70.7 °F - Less dense than water, will float
Flash point
>93.3
Solubility
INSOL IN WATER, SOL IN ALCOHOL, ACETONE
HS code
291631
Category
Synthetic aroma chemicals
Illustrative photo, closed blue jerry cans in a warehouse
Typical packagingIllustrative packaging image, not the actual product

What is Hexyl benzoate?

Plain description, key identifiers and synonyms

Hexyl benzoate is a benzoate ester.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
hexyl benzoate
CAS number
6789-88-4 CAS number cross-checked
EC number
229-856-5
Molecular formula
C13H18O2
UNII
VR3C36EKJR
MDL number
MFCD00051714
INCI name
HEXYL BENZOATE
InChIKey
UUGLJVMIFJNVFH-UHFFFAOYSA-N
InChI
InChI=1S/C13H18O2/c1-2-3-4-8-11-15-13(14)12-9-6-5-7-10-12/h5-7,9-10H,2-4,8,11H2,1H3
SMILES (canonical and isomeric)
CCCCCCOC(=O)C1=CC=CC=C1

Synonyms

  • Benzoic acid, hexyl ester
  • n-Hexyl benzoate
  • Benzoic acid n-hexyl ester
  • Benzoic Acid Hexyl Ester
  • Hexylbenzoate
  • 4-09-00-00293 (Beilstein Handbook Reference)
  • nHexylbenzoate
  • NHexyl benzoate
  • 1Hexyl benzoate
  • Hexyl benzoic acid
  • Hexyl alcohol, benzoate
  • n-Hexylbenzoate
  • 1-Hexyl benzoate
  • Hexylester kyseliny benzoove
  • 1-hexylbenzoate
  • hexylbenzoat
  • Hexyl benzoate, FG

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.
Boiling point
272 °Cexp.
Density
0.979 at 70.7 °F - Less dense than water, will floatexp.
Flash point
>93.3exp.
Solubility
INSOL IN WATER, SOL IN ALCOHOL, ACETONEexp.
Vapour pressure
32 mmHg at 72 °F, 47 mmHg at 124 °F, 81 mmHg at 167 °Fexp.

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
206.29 g/molcalc.
Exact mass
206.1307 Dacalc.
LogP (octanol/water)
3.42calc.
Topological polar surface area
26.3 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
6calc.
Heavy atoms
15calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.46calc.
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

GHS classification
Hazard pictograms

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

Hexyl benzoate suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

All 5 suppliers
5 of 5 offers

Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.

Where suppliers are based

5 suppliers in 3 countries

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Hexyl benzoate 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

Fragrance, eg, for perfumes, soaps, detergents & creams.

Cosmetic ingredient, INCI name HEXYL BENZOATE(perfuming)

Functional uses

  • Flavouring and nutrient
  • Fragrance

Cosmetic functions

  • Perfuming

How it is made

Esterification of benzoic acid with n-hexyl alcohol

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 Hexyl benzoate is traded under.

HS 2916.31Indicative HS code

Benzoic acid, its salts and esters

World exports in 2024
$668M
+12.0% vs 2023, imports $664M
2019 to 2024
Top exporters
  1. China30.7%
  2. Netherlands29.8%
  3. Estonia9.9%
Top importers
  1. United States14.7%
  2. Germany8.8%
  3. Brazil5.1%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Hexyl benzoate, based on the data on this page

What is Hexyl benzoate?

Hexyl benzoate is a benzoate ester.

What is the CAS number of Hexyl benzoate?

The CAS registry number of Hexyl benzoate is 6789-88-4.

What is the molecular formula and weight of Hexyl benzoate?

The molecular formula of Hexyl benzoate is C13H18O2 and its molar mass is 206.29 g/mol.

What is Hexyl benzoate used for?

Fragrance, eg, for perfumes, soaps, detergents & creams.

Is Hexyl benzoate hazardous?

No GHS hazard classification for Hexyl benzoate 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 Hexyl benzoate?

Hexyl benzoate is usually classified under HS code 291631 (Benzoic acid, its salts and esters). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Hexyl benzoate?

CompoundList lists 5 suppliers of Hexyl benzoate in China, Germany and United States. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Hexyl benzoate?

Suppliers quote Hexyl benzoate 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 Hexyl benzoate

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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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