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Benzonatate chemical structure, C30H53NO11, CAS 104-31-4
2D chemical structure

Key facts

What buyers check first

CAS number
104-31-4
Formula
C30H53NO11
Appearance
Colorless to faintly yellow oil
Solubility
Soluble in most organic solvents except aliphatic hydrocarbons
HS code
292249
Category
Respiratory, allergy and digestive drugs
Illustrative photo, clear liquid in a volumetric flask on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is Benzonatate?

Plain description, key identifiers and synonyms

Benzonatate is the ester obtained by formal condensation of 4-butylaminobenzoic acid with nonaethylene glycol monomethyl ether. Structurally related to procaine and benzocaine, it has an anaesthetic effect on the stretch sensors in the lungs, and is used as a non-narcotic cough suppressant. It has a role as an anaesthetic and an antitussive. It is a benzoate ester, a substituted aniline and a secondary amino compound. It is functionally related to a 4-(butylamino)benzoic acid and a nonaethylene glycol monomethyl ether.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-(butylamino)benzoate
CAS number
104-31-4 CAS number cross-checked
EC number
203-194-7
Molecular formula
C30H53NO11
MDL number
MFCD00072060
InChIKey
MAFMQEKGGFWBAB-UHFFFAOYSA-N
InChI
InChI=1S/C30H53NO11/c1-3-4-9-31-29-7-5-28(6-8-29)30(32)42-27-26-41-25-24-40-23-22-39-21-20-38-19-18-37-17-16-36-15-14-35-13-12-34-11-10-33-2/h5-8,31H,3-4,9-27H2,1-2H3
SMILES (canonical and isomeric)
CCCCNC1=CC=C(C=C1)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOC

Synonyms

  • Benzononatine
  • Tessalon
  • Benzonatatum
  • Benzonatato
  • Tessalon Perles
  • Zonatuss
  • 2,5,8,11,14,17,20,23,26-nonaoxaoctacosan-28-yl 4-(butylamino)benzoate
  • 2,5,8,11,14,17,20,23,26-Nonaoxaoctacosan-28-yl p-(butylamino)benzoate
  • nonaethyleneglycol monomethyl ether p-n-butylaminobenzoate
  • 4-(butylamino)benzoic acid 3,6,9,12,15,18,21,24,27-nonaoxaoctacos-1-yl ester
  • Benzoic acid, 4-(butylamino)-, 2,5,8,11,14,17,20,23,26-nonaoxaoctacos-28-yl ester
  • p-butylaminobenzoic acid omega-O-methylnonaethyleneglycol ester
  • 3,6,9,12,15,18,21,24,27-nonaoxaoctacosyl 4-butylaminobenzoate
  • 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-butylaminobenzoate
  • 2-(2-(2-(2-(2-(2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethyl 4-butylaminobenzoate
  • Benzonatate (USP-RS)
  • Benzononantin
  • Exangit
  • Ventussin
  • Tessalon-ciba
  • Ventussin-loz
  • Tessalin
  • Benzonatate (USP/INN)
  • Benzoic acid, 4-(butylamino)-, 3,6,9,12,15,18,21,24,27-nonaoxaoctacos-1-yl ester
  • Tesalon
Show all 31 synonyms
  • p-(n)-Butylaminobenzoesaeure-(nonaaethylenglykol-monomethylaether)-ester
  • Benzoic acid, p-(butylamino)-, 2-(2-(2-(2-(2-(2-(2-(2-(2-methoxyethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethoxy)ethyl ester
  • 2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 4-(butylamino)benzoate
  • Benzonatatum (INN-Latin)
  • 3,6,9,12,15,18,21,24,27-Nonaoxaoctacosyl-4-butylaminobenzoate, 3,6,9,12,15,18,21,24,27-Nonaoxaoctacosyl-4-butylaminobenzoate
  • Tessalon perles (TN)

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 to faintly yellow oilexp.
Solubility
Soluble in most organic solvents except aliphatic hydrocarbonsexp.

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
603.75 g/molcalc.
Exact mass
603.3619 Dacalc.
LogP (octanol/water)
2.83calc.
Topological polar surface area
121.4 ร…ยฒcalc.
Hydrogen bond donors
1calc.
Hydrogen bond acceptors
12calc.
Rotatable bonds
32calc.
Heavy atoms
42calc.
Rings
1calc.
Aromatic rings
1calc.
Fraction sp3 carbons
0.77calc.
Formal charge
0calc.
Stereocentres
0calc.
Lipinski rule of five
Fails (2 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 signal word
Warning
GHS07: Harmful or irritant
Harmful or irritant

Hazard statements

  • H302Harmful if swallowed.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H335May cause respiratory irritation.
  • H412Harmful to aquatic life with long lasting effects.
Precautionary statements (20)
  • 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.
  • P273Avoid release to the environment.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P317If swallowed: Get medical help.
  • P302 + P352If on skin: Wash with plenty of water.
  • 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.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P330Rinse mouth.
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P403 + P233Store in a well-ventilated place. Keep container tightly closed.
  • P405Store locked up.
  • 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

Benzonatate suppliers

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Benzonatate price

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Uses and applications

What the substance is used for, by industry and function

Pharmacological actions

  • Antitussive Agents

Roles

  • anaesthetic
  • antitussive
  • pharmaceutical

Pharmacology

Benzonatate is a Non-narcotic Antitussive. The physiologic effect of benzonatate is by means of Decreased Tracheobronchial Stretch Receptor Activity.

How it is made

Ethyl p-(butylamino)benzoate is transesterified with a polyethylene glycol monomethyl ether fraction in a methanol solution of sodium methoxide. The crude ester is purified by extracting its benzene solution with sodium carbonate solution, the ester being retained in the benzene.

Regulatory status

Inventories, regulations and trade controls that list this substance

Health and food

  • Active ingredient in FDA approved drug labels

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Benzonatate is traded under.

HS 2922.49Indicative HS code

Amino-acids, other than those containing more than one kind of oxygen function, andโ€ฆ

World exports in 2024
$3.88B
โˆ’11.5% vs 2023, imports $3.87B
2019 to 2024
Top exporters
  1. China38.7%
  2. India * partner reported8.3%
  3. Germany8.1%
Top importers
  1. United States13.4%
  2. Germany11.1%
  3. Japan6.6%

* Partner reported figures, a lower bound.

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

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

Frequently asked questions

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

What is Benzonatate?

Benzonatate is the ester obtained by formal condensation of 4-butylaminobenzoic acid with nonaethylene glycol monomethyl ether. Structurally related to procaine and benzocaine, it has an anaesthetic effect on the stretch sensors in the lungs, and is used as a non-narcotic cough suppressant.

What is the CAS number of Benzonatate?

The CAS registry number of Benzonatate is 104-31-4.

What is the molecular formula and weight of Benzonatate?

The molecular formula of Benzonatate is C30H53NO11 and its molar mass is 603.75 g/mol.

What is Benzonatate used for?

Known uses and roles of Benzonatate include respiratory and anti-allergy drugs in pharmaceuticals, anaesthetic, antitussive, pharmaceutical and antitussive agents.

Is Benzonatate hazardous?

Benzonatate carries the GHS signal word "Warning". Main hazards: harmful if swallowed, causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Benzonatate?

Benzonatate is usually classified under HS code 292249 (Amino-acids, other than those containing more than one kind of oxygen function, andโ€ฆ). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Benzonatate?

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Where can I buy Benzonatate in India?

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What is the price of Benzonatate?

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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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