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Carboxylic acids and anhydrides

Benzoate

Also known as Phenylformate, Benzeneformate, Benzenemethanoate

CAS 766-76-7Formula C7H5O2-Molar mass 121.12 g/mol
1 supplier listed
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Benzoate chemical structure, C7H5O2-, CAS 766-76-7
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
766-76-7
Formula
C7H5O2-
Molar mass
121.12 g/mol
HS code
291631
Category
Carboxylic acids and anhydrides

What is Benzoate?

Plain description, key identifiers and synonyms

Benzoate is the simplest member of the class of benzoates that is the conjugate base of benzoic acid, comprising a benzoic acid core with a proton missing to give a charge of -1. It has a role as a plant metabolite and a human xenobiotic metabolite. It is a conjugate base of a benzoic acid.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
benzoate
CAS number
766-76-7 CAS number cross-checked
Molecular formula
C7H5O2-
InChIKey
WPYMKLBDIGXBTP-UHFFFAOYSA-M
InChI
InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)/p-1
SMILES (canonical and isomeric)
C1=CC=C(C=C1)C(=O)[O-]

Synonyms

  • Phenylformate
  • Benzeneformate
  • Benzenemethanoate
  • Phenylcarboxylate
  • Benzenecarboxylate
  • benzoate anion
  • Benzoic acid, ion(1-)
  • benzoic acid anion
  • Oracyclic acid
  • Retarded BA
  • benzene-carboxylate
  • Benzene formic acid

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
121.12 g/molcalc.
Exact mass
121.0295 Dacalc.
LogP (octanol/water)
0.05calc.
Topological polar surface area
40.13 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
2calc.
Rotatable bonds
1calc.
Heavy atoms
9calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0calc.
Formal charge
-1calc.
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.

Benzoate suppliers

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

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  • EvitaChem
    China, BeijingUnclaimed profile
    BenzoateGrade, purity and minimum order on request
    Price on request
    View

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Where suppliers are based

1 supplier in 1 country

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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

Roles

  • animal metabolite
  • eukaryotic metabolite
  • human metabolite
  • human xenobiotic metabolite
  • mammalian metabolite
  • metabolite
  • plant metabolite
  • xenobiotic metabolite

Functional uses

  • Plasticizer

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 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 Benzoate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about Benzoate, based on the data on this page

What is Benzoate?

Benzoate is the simplest member of the class of benzoates that is the conjugate base of benzoic acid, comprising a benzoic acid core with a proton missing to give a charge of -1. It has a role as a plant metabolite and a human xenobiotic metabolite. It is a conjugate base of a benzoic acid.

What is the CAS number of Benzoate?

The CAS registry number of Benzoate is 766-76-7.

What is the molecular formula and weight of Benzoate?

The molecular formula of Benzoate is C7H5O2- and its molar mass is 121.12 g/mol.

What is Benzoate used for?

Known uses and roles of Benzoate include building blocks in research and laboratory, screening compounds in research and laboratory, animal metabolite, eukaryotic metabolite, human metabolite and 6 more.

Is Benzoate hazardous?

No GHS hazard classification for 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 Benzoate?

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 Benzoate?

CompoundList lists 1 supplier of Benzoate in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Benzoate?

Suppliers quote 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 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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