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Aluminum, dihydroxy(octadecanoato-kappaO)-

HCID 16682987
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기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
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기본 정보

CAS
7047-84-9
표준 SMILES
CCCCCCCCCCCCCCCCCC(=O)[O][Al].O.O
InChIKey
OIPZNTLJVJGRCI-UHFFFAOYSA-M
분자식
C18H39AlO4
평균 분자량
346.5 g/mol
단동위원소 질량
346.2663731

개요

Dihydroxy(stearato)aluminium is an aluminium coordination entity. It is functionally related to an aluminium hydroxide.

이름 및 식별자

우선 이름
Aluminum, dihydroxy(octadecanoato-kappaO)-
영어명
ALUMINUM MONOSTEARATE
분자식
C18H37AlO4
분자량
344.47

이름 및 동의어

NCGC00160596-02EINECS 230-325-5UNII-P9BC99461EAluminum monostearate [JAN:NF]aluminummonostearateAluminum, dihydroxy(octadecanoato-kappaO)-Aluminum, dihydroxy(octadecanoato-.kappa.O)-SCHEMBL4101orb3212868CHEMBL3185220Aluminum monostearate (JP17/NF)Tox21_113090
이름 더 보기
uminum monostearateALUMINUM MONOSTEARATAlminum monostearatreALUMINUM MONOSTEARATEALUMINUM STEARATE MONOALUMINUMMONOSTEARATE,NFdibasicaluminumstearateALUMINIUM STEARATE, MONODihydroxyaluminumstearateALUMINIUMSTEARATE(DIBASIC)
AKOS024319334NCGC00160596-01NCGC00160596-03CAS-7047-84-9Aluminium hydroxide octadecanoate (1/2/1)NS00080755Q4119955SR-01000945248-1

데이터베이스 식별자

CAS
7047-84-9
PubChem CID
16682987
ChEMBL
CHEMBL3185220
ChEBI
CHEBI:31197

물성

구조 계산 물성

극성 표면적
28.3 Ų
수소 결합 공여자 수
2
수소 결합 수용자 수
4
회전 가능 결합 수
18
무거운 원자 수
23
형식 전하
0
복잡도
225

물리화학적 성질

녹는점
155 ℃ · 155℃ [PFA93]
밀도
1.02 · 1.020
용해도
Practically insoluble in water. Soluble in ethanol (95%) and benzene.
물리적 상태
가루
색상
황백색
수용성
93 · 물에 불용성; 지방족 및 방향족 탄화수소와 겔을 형성함 [HAW93]
화장품 원료 기능
점도 조절고결방지제유화 안정화색소
InChI
InChI=1S/C18H36O2.Al.2H2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;;;/h2-17H2,1H3,(H,19,20);;2*1H2/q;+3;;/p-3
InChIKey
UGMCXQCYOVCMTB-UHFFFAOYSA-K
SMILES
C(CCC(=O)O[Al](O)O)CCCCCCCCCCCCCC
LogP
8.216 · 8.216 (est)
EPA
Aluminum, dihydroxy(octadecanoato-.kappa.O)- (7047-84-9)
화학적 성질 · 1건

Aluminum monostearate is an aluminum compound of stearic acid and palmitic acid. The USP32–NF27 states that aluminum monostearate contains the equivalent of not less than 14.5% and not more than 16.5% of Al2O3, calculated on the dried basis. The JP XV states that it contains not less than 7.2% and not more than 8.9% of aluminium. Aluminum monostearate occurs as a white, fine, bulky powder with a slight odor of fatty acid. It is a solid material.

안전 및 규제

안전 정보는 참고용이며, 공급업체의 물질안전보건자료(SDS), 관련 법규 및 전문가 평가를 대체하지 않습니다.

안전 및 보호

Minimum Risk LevelIntermediate Oral: 1.0 mg/kg/day (L134) Chronic Oral: 1.0 mg/kg/day (L134)

독성 정보

Health Effects · 1건

Aluminum targets the nervous system and causes decreased nervous system performance and is associated with altered function of the blood-brain barrier. The accumulation of aluminum in the body may cause bone or brain diseases. High levels of aluminum have been linked to Alzheimer's disease. A small percentage of people are allergic to aluminium and experience contact dermatitis, digestive disorders, vomiting or other symptoms upon contact or ingestion of products containing aluminium. (L739, L740)

Exposure RoutesOral (L739) ; inhalation (L739)
Toxicity Summary · 1건

The main target organs of aluminum are the central nervous system and bone. Aluminum binds with dietary phosphorus and impairs gastrointestinal absorption of phosphorus. The decreased phosphate body burden results in osteomalacia (softening of the bones due to defective bone mineralization) and rickets. Aluminum's neurotoxicity is believed to involve several mechanisms. Changes in cytoskeletal protein functions as a results of altered phosphorylation, proteolysis, transport, and synthesis are believed to be one cause. Aluminum may induce neurobehavioral effects by affecting permeability of the blood-brain barrier, cholinergic activity, signal transduction pathways, lipid peroxidation, and impair neuronal glutamate nitric oxide-cyclic GMP pathway, as well as interfere with metabolism of essential trace elements because of similar coordination chemistries and consequent competitive interactions. It has been suggested that aluminum's interaction with estrogen receptors increases the expression of estrogen-related genes and thereby contributes to the progression of breast cancer (A235), but studies have not been able to establish a clear link between aluminum and increased risk of breast cancer (A15468). Certain aluminum salts induce immune responses by activating inflammasomes. (L739, A235, A236)

화학 및 산업

약리 정보

Mechanism of Action · 1건

Antacids perform a neutralization reaction, ie. they buffer gastric acid, raising the pH to reduce acidity in the stomach. When gastric hydrochloric acid reaches the nerves in the gasitrointestinal mucosa, they signal pain to the central nervous system. This happens when these nerves are exposed, as in peptic ulcers. The gastric acid may also reach ulcers in the esophagus or the duodenum. Other mechanisms may contribute, such as the effect of aluminum ions inhibiting smooth muscle cell contraction and delaying gastric emptying. Aluminum is known to bind troponin C (a muscle protein) and to interfere with voltage-dependent calcium transport. Aluminum also binds to and inhibits the activity of mitochondrial voltage gated channels (VDAC).

Metabolism/Metabolites · 1건

Aluminum is poorly absorbed following either oral or inhalation exposure and is essentially not absorbed dermally. The bioavailability of aluminum is strongly influenced by the aluminum compound and the presence of dietary constituents which can complex with aluminum and enhance or inhibit its absorption. Aluminum binds to various ligands in the blood and distributes to every organ, with highest concentrations found in bone and lung tissues. In living organisms, aluminum is believed to exist in four different forms: as free ions, as low-molecular-weight complexes, as physically bound macromolecular complexes, and as covalently bound macromolecular complexes. Absorbed aluminum is excreted principally in the urine and, to a lesser extent, in the bile, while unabsorbed aluminum is excreted in the faeces. (L739)

용도 및 제조

UsesAluminium monostearate is used to form gels in the packaging of pharmaceuticals, and in the preparation of colors for cosmetics. (L763)

응용 분야

용도Paints, inks, greases, waxes, thickening lubricating oils; waterproofing, gloss producer, stabilizer for plastics, food additive.

제조 방법

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Signs and Symptoms · 1건

Inhalating aluminum dust causes coughing and abnormal chest X-rays. A small percentage of people are allergic to aluminium and experience contact dermatitis, digestive disorders, vomiting or other symptoms upon contact or ingestion of products containing aluminium. (L739, L740)

Carcinogen Classification · 1건

Not listed by IARC. IARC classified aluminum production as carcinogenic to humans (Group 1), but did not implicate aluminum itself as a human carcinogen. (L135) A link between use of aluminum-containing antiperspirants and increased risk of breast cancer has been proposed (A235), but studies have not been able to establish a clear link (A15468).

안전 데이터

wgk
3
tsca
TSCA listed
rtecs
BD0707000
기존화학 물질
KE-01005
스토리지 클래스
11 - Combustible Solids

생산 방법Aluminum monostearate is prepared by reacting aluminum with stearic acid.

상·하류 제품 정보

상류 원료

알루미늄분스테아르산

추가 설명

정의A complex containing aluminum and dextran, a chain of molecular weight 2500, corresponding to a chain of 15 anhydroglucose units.