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HCID 15411作成日：2026年10月26日

1,4-ブタンスルトン

1,4-ブタンスルトン · 4-ヒドロキシ-1-ブタンスルホン酸1,4-スルトン · 4-ヒドロキシ-1-ブタンスルホン酸スルトン · 4-ヒドロキシブタン-1-スルホン酸スルトン · 1,2-オキサチアン2,2-ジオキシド · ブチルスルトン · 1,4-ブタンサルトン · 1,4‐ブタンスルトン

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

1,4-ブタンスルトン の分子構造式

識別子と物理属性

CAS No.1633-83-6
分子式C4H8O3S
平均分子量136.17 g/mol
単同位体質量136.01941529 g/mol
SMILESO=S1(=O)CCCCO1
InChIKeyMHYFEEDKONKGEB-UHFFFAOYSA-N
PubChem CID15411
EC No.216-647-9
DTXSIDDTXSID4061836
現地名1,4-ブタンスルトン

化学・物理的性質

XLogP0.1
極性表面積51.8
水素結合供与体数0
水素結合受容体数3
回転可能結合数0
重原子数8
形式電荷0
複雑度153
Physical DescriptionLiquidClear faintly brownish-yellow liquid[MSDSonline]
融点12-15 °C (lit.)
沸点>165 °C/25 mmHg (lit.)
密度1.331 g/mL at 25 °C (lit.)
屈折率n20/D 1.464(lit.)
引火点>230 °F
貯蔵条件Store below +30°C.
溶解度54g/l（分解）54 g/L (20 °C) で分解
外観・状態液体
色無色透明～黄色
BRN110588
InChI1S/C4H8O3S/c5-8(6)4-2-1-3-7-8/h1-4H2
InChIKeyMHYFEEDKONKGEB-UHFFFAOYSA-N
SMILESO=S1(=O)CCCCO1
CAS データベース1633-83-6(CAS DataBase Reference)
EPAの化学物質情報1,2-Oxathiane, 2,2-dioxide (1633-83-6)

化学的特性

Butanesultone is a viscous, clear, colourless – or yellowish/brown – and odourless liquid. When heated, vapours of butanesultone are known to form explosive mixtures with air and are reported to cause explosion hazards.

安全性と法規制

GHS 分類This 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.
規制情報1,2-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
有害性の概要A 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.
水環境危害等級（WGK）3
TSCA 収載状態TSCA listed
RTECS 番号RP4300000
輸送番号（UN）2810
毒性LD50 orally in Rabbit: 500 mg/kg
税関コード29349990
危険文句（R）22-40-68-20/21/22
化審法(5)-531
消防法危-4-3-III
危険表示Xn
安全措置（S）22-36/37-45-36
危険等級6.1(b)Acute Tox. 4 OralCarc. 2Eye Irrit. 2Skin Irrit. 2Skin Sens. 1STOT SE 3
包装等級III
貯蔵分類11 - Combustible Solids
有害物質データ1633-83-6(Hazardous Substances Data)

用途

用途

有機合成原料。

説明

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].

使用

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