CAS 3944-72-7 1-Octanesulfonic acid (HCID 49939)

名称と識別子

優先名称: 1-Octanesulfonic acid
IUPAC: octane-1-sulfonic acid
現地名: オクタン-1-スルホン酸
英語名: 1-Octane sulfonic acid
分子式: C8H18O3S
分子量: 194.29

名称と別名

1-Octanesulfonic acid3944-72-7Octanesulphonic acidDU4821I15ADTXSID5041277RefChem:435177DTXCID3021277223-535-3octane-1-sulfonic acidSodium octylsulfonate1-Octane sulfonic acidNSC2738

名称をさらに表示

1-オクタンスルホン酸オクタン-1-スルホン酸OctylsulfonicacidOCTANESULFONIC ACID1-OCTANESULPHONICACID1-octanesulfonic acid solution

NSC23385octane-1-sulphonic acidUNII-DU4821I15Aoctylsulfonic acidEINECS 223-535-3n-octanesulfonic acidoctane-1-sulfonicacidn-octane sulfonic acid

データベース識別子

CAS: 3944-72-7
PubChem CID: 49939
DTXSID: DTXSID5041277
ChEMBL: CHEMBL1208308
ChEBI: CHEBI:39422
UNII: DU4821I15A
EC Number: 223-535-3
Nikkaji: J217.781A

物性

構造計算による物性

XLogP: 2.5
極性表面積: 62.8 Å²
水素結合供与体数: 1
水素結合受容体数: 3
回転可能結合数: 7
重原子数: 12
形式電荷: 0
複雑度: 179

実験および物理化学的性質

Physical Description · 2 件

Liquid

Solid; [Fisher Scientific MSDS]

物理化学的性質

InChI: InChI=1S/C8H18O3S/c1-2-3-4-5-6-7-8-12(9,10)11/h2-8H2,1H3,(H,9,10,11)
InChIKey: WLGDAKIJYPIYLR-UHFFFAOYSA-N
SMILES: C(S(O)(=O)=O)CCCCCCC
CAS データベース: 3944 · 3944-72-7(CAS DataBase Reference)
EPAの化学物質情報: 1 · 1-Octanesulfonic acid (3944-72-7)

安全と法規制

GHS分類

GHS Classification · 5 件

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]

P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；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.

危険有害性情報

Regulatory Information · 4 件

Chemical: 1-Octanesulfonic acid

1-Octanesulfonic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Octanesulfonic acid 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)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

1-Octanesulphonic acid: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryCauses burns; Inhalation may be fatal due to spasm, inflammation, edema of the larynx and bronchi, chemical pneumonitis, and pulmonary edema; [Fisher Scientific MSDS]

Hazard Classes and CategoriesSkin Corr. 1B (100%)；Skin Sens. 1 (100%)

毒性情報

Adverse EffectsDermatotoxin - Skin burns.；Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.

法規制情報

Regulatory Information · 4 件

Chemical: 1-Octanesulfonic acid

1-Octanesulfonic acid is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 1-Octanesulfonic acid 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)

PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

1-Octanesulphonic acid: Does not have an individual approval but may be used under an appropriate group standard

安全データ

tsca: TSCA listed

化学と産業

用途と製造

U.S. Production2023: 150,584 lb；2022: 174,516 lb；2021: 170,737 lb；2020: 172,576 lb

Consumer UsesOxidizing agent

Industry UsesIntermediate

General Manufacturing Information · 2 件

Soap, Cleaning Compound, and Toilet Preparation Manufacturing

1-Octanesulfonic acid: ACTIVE

サプライヤー29 社

陕西凯尔凯医药科技有限公司029-2148545164 17392779578 · [email protected]

江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]

陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]

上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]

T&W GROUP021-61551611 13296011611 · [email protected]

化合物ノート

読み込み中…

オクタン-1-スルホン酸

基本情報