CompoundList
Busulfan chemical structure, C6H14O6S2, CAS 55-98-1
2D chemical structure

Key facts

What buyers check first

Appearance
White needles
Melting point
114 to 118
Solubility
Solubility in acetone at 25 °C: 2.4 g/100mL, in alcohol: 0.1g/100 mL. Practically insolu…
HS code
290410
Category
Oncology and immunology drugs
UN number
UN 2811
Illustrative photo, colourless crystals beside a jumbo bulk bag in a chemical plant
Typical packagingIllustrative packaging image, not the actual product

What is Busulfan?

Plain description, key identifiers and synonyms

Busulfan is a methanesulfonate ester that is butane-1,4-diol in which the hydrogens of the hydroxy groups are replaced by methanesulfonyl groups. An alkylating antineoplastic agent, it is used for the treatment of chronic myeloid leukemia (although it has been largely replaced by newer drugs). It is also used as an insect sterilant. It has a role as an alkylating agent, an antineoplastic agent, a carcinogenic agent, a teratogenic agent and an insect sterilant. It is functionally related to a butane-1,4-diol.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
4-methylsulfonyloxybutyl methanesulfonate
CAS number
55-98-1 CAS number cross-checked
EC number
200-250-2
Molecular formula
C6H14O6S2
UNII
G1LN9045DK
MDL number
MFCD00007562
InChIKey
COVZYZSDYWQREU-UHFFFAOYSA-N
InChI
InChI=1S/C6H14O6S2/c1-13(7,8)11-5-3-4-6-12-14(2,9)10/h3-6H2,1-2H3
SMILES (canonical and isomeric)
CS(=O)(=O)OCCCCOS(=O)(=O)C

Synonyms

  • Myleran
  • Busulphan
  • Sulphabutin
  • Leucosulfan
  • Myelosan
  • Busulfex
  • Myeloleukon
  • Sulfabutin
  • Mablin
  • Mielucin
  • Misulban
  • Mitostan
  • Mylecytan
  • Mielevcin
  • Mielosan
  • Milecitan
  • Mileran
  • Myeleukon
  • 1,4-Butanediol dimethanesulfonate
  • 1,4-Dimesyloxybutane
  • Busulfano
  • Busulfanum
  • Myelosanum
  • 1,4-Butanediol, dimethanesulfonate
  • 1,4-Dimethanesulfonoxybutane
Show all 39 synonyms
  • Tetramethylene dimethane sulfonate
  • Busilvex
  • Mitosan
  • 1,4-Dimethylsulfonyloxybutane
  • 1,4-Bis(methanesulfonoxy)butane
  • 1,4-Butanediol dimethylsulfonate
  • 1,4-Bis(methanesulfonyloxy)butane
  • GT 41
  • Tetramethylene bis(methanesulfonate)
  • 1,4-Butanediol dimethanesulphonate
  • CB 2041
  • Methanesulfonic acid, tetramethylene ester
  • Tetramethylenester kyseliny methansulfonove
  • C.B. 2041

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
White needlesexp.
Melting point
114 to 118exp.
Solubility
Solubility in acetone at 25 °C: 2.4 g/100mL, in alcohol: 0.1g/100 mL. Practically insoluble in water but will dissolve slowly as hydrolysis takes place.exp.

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
246.31 g/molcalc.
Exact mass
246.0232 Dacalc.
LogP (octanol/water)
-0.28calc.
Topological polar surface area
86.74 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
6calc.
Rotatable bonds
7calc.
Heavy atoms
14calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
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
Danger
GHS06: Acute toxicity (severe)
Acute toxicity (severe)
GHS07: Harmful or irritant
Harmful or irritant
GHS08: Serious health hazard
Serious health hazard

Hazard statements

  • H300Fatal if swallowed.
  • H301Toxic if swallowed.
  • H310Fatal in contact with skin.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
  • H330Fatal if inhaled.
  • H335May cause respiratory irritation.
  • H340May cause genetic defects.
  • H350May cause cancer.
  • H360May damage fertility or the unborn child.
  • H373May cause damage to organs through prolonged or repeated exposure.
Precautionary statements (27)
  • P203Obtain, read and follow all safety instructions before use.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P261Avoid breathing dust, fume, gas, mist, vapours or spray.
  • P262Do not get in eyes, on skin, or on clothing.
  • 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.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P284In case of inadequate ventilation wear respiratory protection.
  • P301 + P316If swallowed: Get emergency medical help immediately.
  • 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.
  • P316Get emergency medical help immediately.
  • P318If exposed or concerned, get medical advice.
  • P319Get medical help if you feel unwell.
  • P320Specific treatment is urgent (see supplemental first aid instructions on the label).
  • 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.
  • P361 + P364Take off immediately all contaminated clothing. And wash it before reuse.
  • 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.
UN number
UN 2811

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

Busulfan suppliers

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Where suppliers are based

125 suppliers in 24 countries

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Busulfan 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

Palliative treatment of chronic myelogenous leukemia.

Insect sterilant.

Therapeutic category: Antineoplastic.

Used specifically in the treatment of chronic myelocytic leukemia and polycythemia vera.

Industries and functions

Pharmacological actions

  • Alkylating Agents
  • Antineoplastic Agents, Alkylating
  • Immunosuppressive Agents
  • Myeloablative Agonists

Roles

  • aetiopathogenetic role
  • alkylating agent
  • anti-HIV agent
  • anti-anaemic agent
  • anticoagulant
  • antifibrotic agent
  • antimicrobial agent
  • antineoplastic agent
  • antiviral agent
  • carcinogenic agent
  • chemosterilant
  • genotoxin
  • hematologic agent
  • insect sterilant
  • insecticide
  • mutagen
  • pesticide
  • pharmaceutical
  • teratogenic agent

Pharmacology

Busulfan is an Alkylating Drug. The mechanism of action of busulfan is as an Alkylating Activity.

How it is made

Produced by the reaction of 1,4-butanediol with methanesulphonyl chloride.

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 Busulfan is traded under.

HS 2904.10Indicative HS code

Derivatives containing only sulpho groups, their salts and ethyl esters

World exports in 2024
$447M
−5.5% vs 2023, imports $498M
2019 to 2024
Top exporters
  1. Germany21.1%
  2. China15.2%
  3. United States11.5%
Top importers
  1. United States8.5%
  2. China8.4%
  3. Sweden6.8%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

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

What is Busulfan?

Busulfan is a methanesulfonate ester that is butane-1,4-diol in which the hydrogens of the hydroxy groups are replaced by methanesulfonyl groups. An alkylating antineoplastic agent, it is used for the treatment of chronic myeloid leukemia (although it has been largely replaced by newer drugs).

What is the CAS number of Busulfan?

The CAS registry number of Busulfan is 55-98-1.

What is the molecular formula and weight of Busulfan?

The molecular formula of Busulfan is C6H14O6S2 and its molar mass is 246.31 g/mol.

What is Busulfan used for?

Palliative treatment of chronic myelogenous leukemia. Insect sterilant. Therapeutic category: Antineoplastic. Used specifically in the treatment of chronic myelocytic leukemia and polycythemia vera.

Is Busulfan hazardous?

Busulfan carries the GHS signal word "Danger". Main hazards: fatal if swallowed, toxic if swallowed, fatal in contact with skin. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Busulfan?

Busulfan is usually classified under HS code 290410 (Derivatives containing only sulpho groups, their salts and ethyl esters). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Busulfan?

CompoundList lists 125 suppliers of Busulfan in United States, China, India, Germany and 20 more. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

Where can I buy Busulfan in India?

16 suppliers in India list Busulfan on CompoundList. Filter the suppliers list by country and send a request to compare prices, grades and delivery times.

What is the price of Busulfan?

Suppliers quote Busulfan 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 Busulfan

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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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