기본 정보
- 표준 SMILES
CCCCC(CC)CCC(CC(C)C)OS(=O)(=O)[O-].[Na+]- InChIKey
FVEFRICMTUKAML-UHFFFAOYSA-M- 분자식
- C14H29NaO4S
- 평균 분자량
- 316.43 g/mol
- 단동위원소 질량
- 316.16842486
이름 및 식별자
- 우선 이름
- Sodium Tetradecyl Sulfate
- IUPAC
- sodium (7-ethyl-2-methylundecan-4-yl) sulfate
- 현지명
- 나이아프루프타입4
- 영어명
- NIAPROOF TYPE 4
- 분자식
- C14H31NaO4S
- 분자량
- 318.45
이름 및 동의어
이름 더 보기
데이터베이스 식별자
- CAS
139-88-8- PubChem CID
- 23665772
- DTXSID
DTXSID3041530- ChEMBL
CHEMBL1200354- ChEBI
CHEBI:75273- UNII
- Q1SUG5KBD6
- EC Number
- 205-380-3
- Nikkaji
- J184.420B
물성
구조 계산 물성
- 극성 표면적
- 74.8 Ų
- 수소 결합 공여자 수
- 0
- 수소 결합 수용자 수
- 4
- 회전 가능 결합 수
- 11
- 무거운 원자 수
- 20
- 형식 전하
- 0
- 복잡도
- 312
실험 및 물리화학적 성질
물리화학적 성질
- 밀도
- 1.06 g/mL · 1.06 g/mL at 20 °C
- 굴절률
- 20 · n20/D 1.39
- 저장 조건
- Store at RT.
- 물리적 상태
- Liquid
- 색상
- Colorless to light yellow
- Merck
- 13 · 13,8764
- 주요 응용
- 환경식품 및 음료 || 미생물학
- 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
- 4 · 4-Undecanol, 7-ethyl-2-methyl-, hydrogen sulfate, sodium salt (139-88-8)
화학적 성질
White, waxy solid; odorless. Soluble in alcohol, ether, and water; 5% solution is clear and colorless; p H (5% solution) 6.5–9.0.
안전 및 규제
GHS 분류
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.
유해성 정보
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
독성 정보
규제 정보
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.
안전 데이터
- wgk
- 2
- tsca
- TSCA listed
- rtecs
- XB8660000
- ridadr
- UN 3267 8/PG 3
- 독성
- 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
- hazard_code
- C,Xi
- safety_code
- 26-45-36/37/39
- Hazard Classifications
- Skin Corr. 1B
- 스토리지 클래스
- 8A - Combustible corrosive hazardous materials
화학 및 산업
약리 정보
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.
용도 및 제조
응용 분야
용도Wetting agent, detergent.
일반 설명Niaproof 4 is a bi-tailed sodium.
공급사35 곳
추가 설명
정의ChEBI: 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.
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