홈MCP워크벤치Skills
홈워크벤치알림마이페이지
llms.txt · MCP 가이드개인정보처리방침 · 이용약관 · 지원v1.8.0
  1. 홈
  2. /화합물

알루미늄 트리 sec-부톡사이드

Aluminum butylate

HCID 6451513
새 노트새 반응견적 요청하기
인쇄 미리보기
기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
부분 구조 검색유사 구조 찾기

기본 정보

CAS
2269-22-9
표준 SMILES
CCCC[O-].CCCC[O-].CCCC[O-].[Al+3]
InChIKey
MYWQGROTKMBNKN-UHFFFAOYSA-N
분자식
C12.H27.Al.O3
평균 분자량
246.32 g/mol

개요

Aluminum butylate is a chemical compound of aluminum. Aluminum is the most abundant metal in the earth's crust and is always found combined with other elements such as oxygen, silicon, and fluorine. (L739, L740)

이름 및 식별자

우선 이름
Aluminum butylate
IUPAC
aluminum tris(butan-1-olate)
현지명
알루미늄 트리 sec-부톡사이드
영어명
Aluminium tri-sec-butoxide
분자식
C4H13AlO
분자량
104.13

이름 및 동의어

Aluminium tributanolate3085-30-1Aluminum n-butoxidealuminum butylate1-Butanol, aluminum salt1-Butanol, aluminum salt (3:1)UNII-D98432ZJPAD98432ZJPAEINECS 221-394-2Aluminum butylic acidAluminum tri-sec-butylateRefChem:111650
이름 더 보기
알루미늄2-부톡사이드알루미늄트리sec-부톡사이드알루미늄2-부톡사이드(ALUMINUM2-BUTOXIDE)알루미늄부톡사이드ASBALUMINUM SEC-BUTOXIDEALUMINIUM SEC-BUTOXIDEANH1XLSAXLDPPXLEPPSIDBA1UNII:FE7IK35OPN
tris(butan-2-yloxy)alumane2-BUTANOL ALUMINUM SALT2269-22-9Aluminum s-butoxideDTXCID207518DTXSID5027518Aluminum tributoxidealuminum;butan-1-olate

데이터베이스 식별자

CAS
2269-22-9、3085-30-1
PubChem CID
6451513
UNII
D98432ZJPA
EC Number
221-394-2

물성

구조 계산 물성

극성 표면적
69.2 Ų
수소 결합 공여자 수
0
수소 결합 수용자 수
3
회전 가능 결합 수
6
무거운 원자 수
16
형식 전하
0
복잡도
13.1

실험 및 물리화학적 성질

CosmeticsStabilizing
Food Contact Substances · 2건

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

FCS -> FDA Inventory of Food Contact Substances Listed in 21 CFR

물리화학적 성질

끓는 점
40 °C · 40 °C
밀도
0.967 g/mL · 0.967 g/mL at 25 °C(lit.)
증기압
23 hPa · 23 hPa (195 °C)
굴절률
1.439 · 1.4390
인화점
82 °F · 82 °F
저장 조건
30 °C · Store below +30°C.
용해도
알코올, 이소프로필 알코올 및 톨루엔과 혼합 가능합니다.
물리적 상태
기름진 액체
색상
연노랑
Specific Gravity
0.9671 · 0.9671
폭발한계
1.7 · 1.7-9.8%(V)
수용성
물에서 분해되다
BRN
3910908 · 3910908
안정성
안정성 안정적이지만 공기와 습기에 노출되면 분해될 수 있습니다. 가연성. 강한 산화제, 강산, 물과 호환되지 않습니다.
화장품 원료 기능
광안정기
InChI
1S/3C4H9O.Al/c3*1-3-4(2)5;/h3*4H,3H2,1-2H3;/q3*-1;+3
InChIKey
WOZZOSDBXABUFO-UHFFFAOYSA-N
SMILES
CCC(C)O[Al](OC(C)CC)OC(C)CC
NIST
Aluminum tri-sec-butoxide(2269-22-9)
EPA
2 · 2-Butanol, aluminum salt (2269-22-9)

화학적 성질

viscous colourless or pale yellow liquid

안전 및 규제

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

GHS 분류

GHS Classification · 6건

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P337+P317, P361+P364, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 340 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Danger

H225 (59.1%): Highly Flammable liquid and vapor [Danger Flammable liquids]

유해성 정보

Regulatory Information · 5건

Chemical: 1-Butanol, aluminium salt

Chemical: 2-Butanol, aluminium salt

Status: Active Update: 15-11-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/12027

Status: Active Update: 04-05-2018 https://echa.europa.eu/registration-dossier/-/registered-dossier/23202

1-Butanol, aluminum salt: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and Categories · 2건

Flam. Liq. 3 (100%)

Flam. Liq. 2 (59.1%)

안전 및 보호

Minimum Risk LevelIntermediate Oral: 1.0 mg/kg/day (L134) Chronic Oral: 1.0 mg/kg/day (L134)
Protective Action Criteria (PAC) · 3건

12 [mg/m3]

73 [mg/m3]

440 [mg/m3]

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)

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
ridadr
UN 1992 3/PG 3
독성
LD50 orally in Rabbit: 401 mg/kg LD50 dermal Rabbit 402 mg/kg
HS 번호
29051900
risk_code
40-21/22-10
hazard_code
Xn,Xi
safety_code
36/37-45-43-36/37/39-26-16
포장분류
III
위험 등급
3
기존화학 물질
KE-03873
F 고인화성물질
3-10-23
자연 발화 온도
763 °F
Hazard Classifications
Acute Tox. 3 DermalAcute Tox. 4 OralFlam. Liq. 3
스토리지 클래스
3 - Flammable liquids

화학 및 산업

약리 정보

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

Use ClassificationCosmetics -> Stabilizing
General Manufacturing Information1-Butanol, aluminum salt (3:1): ACTIVE

응용 분야

용도It is used for active catalyst and support, inorganic membrane, redrcing agent of aldehyde-ketone, oxidant of aldehyde-ketone, gel forming agent of printing ink and paint, dehydrant, water proofing agent and aluminum base grease.

상·하류 제품 정보

상류 원료

부틸포르메이트알루미늄 이소프로폭사이드알루미늄분

하류 제품

펜타씬

관련 반응

4건
반응 기록 만들기
HRID 630567 반응식
HRID 630567반응물로uspto-grants-2016_04
HRID 991364 반응식
HRID 991364반응물로uspto-grants-2002_10
HRID 1060192 반응식
HRID 1060192반응물로uspto-grants-2003_02
HRID 1530926 반응식
HRID 1530926반응물로uspto-grants-2001_03

화합물 노트

불러오는 중…

이 페이지에서기본 정보개요이름 및 식별자물성안전 및 규제화학 및 산업관련 반응화합물 노트
더보기
새 노트새 반응견적 요청하기