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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 15411Generated: October 23, 2026

1,4-Butane sultone

butanesultone · -Sultone · 1,4-Butane · 1,4-BUTANE SULTON · 1,4-butylenesulfone · Busulfan Impurity 7 · butanesulfone · 1,4-Butane suL

https://huagongshe.com/en/chemical/15411

1,4-Butane sultone molecular structure

Identifiers & Physical Properties

CAS No.1633-83-6
Molecular formulaC4H8O3S
Average molar mass136.17 g/mol
Monoisotopic mass136.01941529 g/mol
SMILESO=S1(=O)CCCCO1
InChIKeyMHYFEEDKONKGEB-UHFFFAOYSA-N
PubChem CID15411
EC No.216-647-9
DTXSIDDTXSID4061836

Chemical & Physical Properties

XLogP0.1
Topological polar surface area51.8
Hydrogen bond donors0
Hydrogen bond acceptors3
Rotatable bonds0
Heavy atoms8
Formal charge0
Complexity153
Physical DescriptionLiquidClear faintly brownish-yellow liquid[MSDSonline]
Melting point12-15 °C (lit.)
Boiling point>165 °C/25 mmHg (lit.)
Density1.331 g/mL at 25 °C (lit.)
Refractive indexn20/D 1.464(lit.)
Flash point>230 °F
Storage conditionsStore below +30°C.
Solubility54g/l (decomposition)54 g/L (20 ºC) decomposes
Physical stateLiquid
ColorClear colorless to yellow
SensitivityMoisture Sensitive
BRN110588
InChI1S/C4H8O3S/c5-8(6)4-2-1-3-7-8/h1-4H2
InChIKeyMHYFEEDKONKGEB-UHFFFAOYSA-N
SMILESO=S1(=O)CCCCO1
CAS DataBase Reference1633-83-6(CAS DataBase Reference)
FDA UNII4E0C1CLI2C
EPA Substance Registry System1,2-Oxathiane, 2,2-dioxide (1633-83-6)
UNSPSC Code41116107
NACRESNA.24
GHS pictogramGHS07,GHS08
Signal wordWarning
GHS hazard statementsH302-H315-H317-H319-H335-H351
GHS precautionary statementsP201-P280-P301+P312-P302+P352-P305+P351+P338-P308+P313
Target organsRespiratory system
Personal protective equipment (PPE)Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Hazard symbolsXn
Risk statements (R)22-40-68-20/21/22
Safety statements (S)22-36/37-45-36
UN transport number2810
Water hazard class (WGK)3
RTECS numberRP4300000
TSCA inventory statusTSCA listed
Hazard class6.1(b)Acute Tox. 4 OralCarc. 2Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
Packing groupIII
Customs code29349990
Storage class11 - Combustible Solids
Hazardous substances data1633-83-6(Hazardous Substances Data)
ToxicityLD50 orally in Rabbit: 500 mg/kg
REACH registrationsActive

Safety & Regulations

GHS classificationThis chemical does not meet GHS hazard criteria for 0.6% (1 of 167) of reports.WarningH302 (99.4%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (65.3%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (65.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (65.3%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]H341 (66.5%): Suspected of causing genetic defects [Warning Germ cell mutagenicity]H351 (95.8%): Suspected of causing cancer [Warning Carcinogenicity]H412 (62.9%): Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard]P203, P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 167 reports by companies from 12 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Reported as not meeting GHS hazard criteria per 1 of 167 reports by companies.There are 11 notifications provided by 166 of 167 reports by companies with hazard statement code(s).Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Regulatory information1,2-Oxathiane, 2,2-dioxide is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1,2-Oxathiane, 2,2-dioxide are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)Status: Active Update: 30-07-2020 https://echa.europa.eu/registration-dossier/-/registered-dossier/260871,4-Butanesultone: Does not have an individual approval but may be used under an appropriate group standard
Hazards summaryA mutagen and equivocal tumorigen[RTECS] May cause irritation[MSDSonline] See Propane sultone.
Special ReportsTHIS IS A REVIEW OF THE HOST MEDIATED ASSAY AND BODY FLUID ASSAY AS REPORTED FOR 208 CHEMICALS. 1,4-BUTANE SULTONE WAS POSITIVE FOR AN UNSPECIFIED STRAIN OF SALMONELLA TYPHIMURIUM.[LEGATOR MS ET ALAN EVALUATION OF THE HOST MEDIATED ASSAY AND BODY FLUID ANALYSIS A REPORT OF THE USA ENVIRONMENTAL PROTECTION AGENCY GENE-TOX PROGRAMMUTAT RES 98 (3): 319-74 (1982)]
Hazard Classes and CategoriesAcute Tox. 4 (99.4%)Skin Irrit. 2 (65.3%)Eye Irrit. 2 (65.3%)STOT SE 3 (65.3%)Muta. 2 (66.5%)Carc. 2 (95.8%)Aquatic Chronic 3 (62.9%)
Non-Human Toxicity ExcerptsFEMALE ICR/HA SWISS MICE WERE INJECTED SC WITH 1,4-BUTANE SULTONE ONCE/WK FOR 580 DAYS @ 1.0 MG/0.05 ML TRICAPRYLIN. NO SIGNIFICANT TUMORIGENIC EFFECT WAS NOTED.1,4-BUTANE SULTONE WAS TESTED IN THE IP HOST-MEDIATED ASSAY, USING ADULT MALE SWISS-WEBSTER MICE AS THE HOST ANIMAL AND SALMONELLA TYPHIMURIUM AS A TEST ORGANISM. IT TESTED POS @ A CONCN OF 106.4 MG/KG IN STRAINS TA1530 AND TA1538 & @ A CONCN OF 138 MG/KG IN STRAIN TA1535.1,4-BUTANE SULTONE WAS POS FOR RECOMBINOGENIC ACTIVITY IN SACCHAROMYCES CEREVISIAE D3 WHEN ADMIN @ A CONCN OF 1.0% WITHOUT METABOLIC ACTIVATION.1,4-BUTANE SULTONE WAS TESTED IN THE AMES REVERSION TEST IN SALMONELLA TYPHIMURIUM STRAINS TA1535, TA1536, TA1537, TA1538, TA98 AND TA100 WITHOUT ACTIVATION @ 100 UG (0.73 UMOL/PLATE). IT WAS MUTAGENIC IN STRAINS TA1535, TA1537, AND TA100, CAUSING 500, 66, AND 470 HIS+ REVERTANTS/PLATE (MINUS BACKGROUND), RESPECTIVELY.For more Non-Human Toxicity Excerpts (Complete) data for 1,4-BUTANE SULTONE (6 total), please visit the HSDB record page.
Personal protective equipment (PPE)Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Water hazard class (WGK)3
TSCA inventory statusTSCA listed
RTECS numberRP4300000
UN transport number2810
Customs code29349990
ToxicityLD50 orally in Rabbit: 500 mg/kg
Risk statements (R)22-40-68-20/21/22
Signal wordWarning
GHS pictogramGHS07,GHS08
Hazard symbolsXn
Safety statements (S)22-36/37-45-36
Hazard class6.1(b)Acute Tox. 4 OralCarc. 2Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
Storage class11 - Combustible Solids
Packing groupIII
Target organsRespiratory system
GHS hazard statementsH302-H315-H317-H319-H335-H351
REACH registrationsActive
GHS precautionary statementsP201-P280-P301+P312-P302+P352-P305+P351+P338-P308+P313
Hazardous substances data1633-83-6(Hazardous Substances Data)

Applications & Uses

Description

1,4-Butane sultone is an impurity in sulfobutyl ether β-cyclodextrin (SBE-β-CD), and has been reported to be a weak carcinogen. 1,4-Butane sultone can be used for preparation of Brnsted acidic ionic liquids and the ionic liquid is green, highly water soluble, thermally stable, specific and catalytically stable, and can be used for the preparation of symmetrical 3,3'-diaryloxyoctanone compounds[1-2].

Uses

1,4-Butane Sultone is an alkylating agent with weak carcinogenic activity.

Uses

1,4-Butane sultone can be employed as a reactant in the preparation of conjugated polymers which include polybetaine, poly[2-ethynyl-N-(4-sulfobutyl)pyridinium betaine] (PESPB).It can also be used in the preparation of Bronsted acid catalysts such as 4-(succinimido)-1-butane sulfonic acid and poly(4-vinylpyridinium butane sulfonic acid) hydrogen sulfate. These catalysts facilitate the synthesis of 1-amidoalkyl-2-naphthols, substituted quinolines, and pyrano[4,3-b]pyran derivatives.