基本情報
- CAS
139-88-8- 標準SMILES
CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)[O-].[Na+]- InChIKey
FVEFRICMTUKAML-UHFFFAOYSA-M- 分子式
- C14H29NaO4S
- 平均分子量
- 316.43 g/mol
- 単同位体質量
- 316.16842486
名称と識別子
- 優先名称
- Sodium Tetradecyl Sulfate
- IUPAC
- sodium (7-ethyl-2-methylundecan-4-yl) sulfate
- 現地名
- 硫酸テトラデシルナトリウム
- 英語名
- NIAPROOF TYPE 4
- 分子式
- C14H31NaO4S
- 分子量
- 318.45
名称と別名
名称をさらに表示
データベース識別子
- CAS
139-88-8- PubChem CID
- 23665772
- DTXSID
DTXSID3041530- ChEMBL
CHEMBL1200354- ChEBI
CHEBI:75273- UNII
- Q1SUG5KBD6
- EC Number
- 205-380-3
- Nikkaji
- J184.420B
物性
構造計算による物性
- 極性表面積
- 74.8 Ų
- 水素結合供与体数
- 0
- 水素結合受容体数
- 4
- 回転可能結合数
- 11
- 重原子数
- 20
- 形式電荷
- 0
- 複雑度
- 312
実験および物理化学的性質
物理化学的性質
- 比重(密度)
- 1.06 g/mL · 1.06 g/mL at 20 °C
- 屈折率
- 20 · n20/D 1.39
- 貯蔵温度
- Store at RT.
- 外見
- Liquid
- 色
- Colorless to light yellow
- Merck
- 13 · 13,8764
- 主な用途
- 環境食品・飲料 || 微生物学
- InChI
- 1S/C14H30O4S.Na/c1-5-7-8-13(6-2)9-10-14(11-12(3)4)18-19(15,16)17;/h12-14H,5-11H2,1-4H3,(H,15,16,17);/q;+1/p-1
- InChIKey
- FVEFRICMTUKAML-UHFFFAOYSA-M
- SMILES
- [Na+].CCCCC(CC)CCC(CC(C)C)OS([O-])(=O)=O
- EPAの化学物質情報
- 4 · 4-Undecanol, 7-ethyl-2-methyl-, hydrogen sulfate, sodium salt (139-88-8)
化学的性質
化学的特性White, waxy solid; odorless. Soluble in alcohol, ether, and water; 5% solution is clear and colorless; p H (5% solution) 6.5–9.0.
安全と法規制
GHS分類
GHS Classification
Danger
H302 (70.5%): Harmful if swallowed [Warning Acute toxicity, oral];H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal];H312 (17.9%): Harmful in contact with skin [Warning Acute toxicity, dermal];H314 (69.2%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation];H315 (29.5%): Causes skin irritation [Warning Skin corrosion/irritation];H318 (29.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]
P260, P262, P264, P264+P265, P270, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P332+P317, P361+P364, P362+P364, P363, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 78 reports by companies from 5 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
Chemical: 4-Undecanol, 7-ethyl-2-methyl-, hydrogen sulfate, sodium salt
4-Undecanol, 7-ethyl-2-methyl-, hydrogen sulfate, sodium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazards Summary
A mild eye and severe skin irritant; Causes somnolence, other gastrointestinal changes, and hematuria in oral lethal-dose studies of rats and guinea pigs; [RTECS] 26-28% Aqueous solution: Causes burns; Inhalation may cause corrosive injuries to upper respiratory tract; Harmful by ingestion; Toxic by skin absorption; [Sigma-Aldrich MSDS]
Hazard Classes and Categories
Acute Tox. 4 (70.5%);Acute Tox. 3 (50%);Acute Tox. 4 (17.9%);Skin Corr. 1B (69.2%);Skin Irrit. 2 (29.5%);Eye Dam. 1 (29.5%)
Hazardous to the aquatic environment (Acute) - Category 2;Hazardous to the aquatic environment (Long-term) - Category 2
毒性情報
法規制情報
Regulatory Information
Chemical: 4-Undecanol, 7-ethyl-2-methyl-, hydrogen sulfate, sodium salt
4-Undecanol, 7-ethyl-2-methyl-, hydrogen sulfate, sodium salt: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
安全データ
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- XB8660000
- ridadr
- UN 3267 8/PG 3
- 毒性
- LD50 orally in rats: 4.95 g/kg, H. F. Smyth, C. P. Carpenter, J. Ind. Hyg. Toxicol. 30, 63 (1948)
- risk_code
- 36/37/38-34-21/22
- 化審法
- 優先評価化学物質
- hazard_code
- C,Xi
- safety_code
- 26-45-36/37/39
- Hazard Classifications
- Skin Corr. 1B
- ストレージクラス
- 8A - Combustible corrosive hazardous materials
化学と産業
薬理情報
ATC Code
C - Cardiovascular system;C05 - Vasoprotectives;C05B - Antivaricose therapy;C05BB - Sclerosing agents for local injection;C05BB04 - Sodium tetradecyl sulfate
QC - Cardiovascular system;QC05 - Vasoprotectives;QC05B - Antivaricose therapy;QC05BB - Sclerosing agents for local injection;QC05BB04 - Sodium tetradecyl sulfate
Pharmacodynamics
Sodium tetradecyl sulfate is an anionic surfactant which occurs as a white, waxy solid. It is used as a sclerosing agent in sclerotherapy. Sclerotherapy is an injection of a sclerosing agent directly through the skin into a lesion and is used primarily for slow-flow vascular anomalies, particularly for venous malformation and lymphatic malformation. Intravenous injection causes intima inflammation and thrombus formation. This usually occludes the injected vein. Subsequent formation of fibrous tissue results in partial or complete vein obliteration that may or may not be permanent.
Mechanism of Action
Sodium tetradecyl sulfate is a potent toxin for endothelial cells in that brief exposure to even low concentrations are effective in stripping endothelium over a considerable distance and exposing highly thrombogenic endothelium in the process. Diluted sodium tetradecyl sulfate is also able to induce a hypercoagulable state, possibly by selective inhibition of protein C, and can also promote platelet aggregation.
MeSH Pharmacological Classification
Chemical agents injected into blood vessels and lymphatic sinuses to shrink or cause localized THROMBOSIS; FIBROSIS, and obliteration of the vessels. This treatment is applied in a number of conditions such as VARICOSE VEINS; HEMORRHOIDS; GASTRIC VARICES; ESOPHAGEAL VARICES; PEPTIC ULCER HEMORRHAGE.
Agents that modify interfacial tension of water; usually substances that have one lipophilic and one hydrophilic group in the molecule; includes soaps, detergents, emulsifiers, dispersing and wetting agents, and several groups of antiseptics.
用途と製造
応用分野
使用Wetting agent, detergent.
一般的な説明Niaproof 4 is a bi-tailed sodium.
サプライヤー35 社
補足説明
定義ChEBI: An organic sodium salt having tetradecyl sulfate as the counterion. Used in the treatment of small uncomplicated varicose veins of the lower extremities that show simple dilation with competent valves.
関連反応
化合物ノート
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