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Aluminiumtri-sec-butanolat

Aluminum butylate

HCID 6451513
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TeilstruktursucheÄhnliche Strukturen suchen

Grundinformationen

CAS
2269-22-9
Standard-SMILES
CCCC[O-].CCCC[O-].CCCC[O-].[Al+3]
InChIKey
MYWQGROTKMBNKN-UHFFFAOYSA-N
Summenformel
C12.H27.Al.O3
Durchschnittliche Molmasse
246,32 g/mol

Überblick

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)

Namen und Bezeichner

Bevorzugter Name
Aluminum butylate
IUPAC
aluminum tris(butan-1-olate)
Lokaler Name
Aluminiumtri-sec-butanolat
Englischer Name
Aluminium tri-sec-butoxide
Summenformel
C4H13AlO
Molmasse
104.13

Namen und Synonyme

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
Weitere Namen anzeigen
ASBALUMINUM SEC-BUTOXIDEALUMINIUM SEC-BUTOXIDEANH1XLSAXLDPPXLEPPSIDBA1UNII:FE7IK35OPN
tris(butan-2-yloxy)alumane2-BUTANOL ALUMINUM SALT2269-22-9Aluminum s-butoxideDTXCID207518DTXSID5027518Aluminum tributoxidealuminum;butan-1-olate

Datenbank-Bezeichner

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

Eigenschaften

Berechnete Struktureigenschaften

Polarare Oberfläche (TPSA)
69,2 Ų
H-Brücken-Donoren
0
H-Brücken-Akzeptoren
3
Frei drehbare Bindungen
6
Schwere Atome
16
Formalladung
0
Komplexität
13,1

Experimentelle und physikochemische Eigenschaften

CosmeticsStabilizing
Food Contact Substances · 2 Einträge

FCS -> FDA Cumulative Estimated Daily Intake (CEDI)

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

Physikochemische Eigenschaften

Siedepunkt
40 °C · 40 °C
Dichte
0.967 g/mL · 0.967 g/mL at 25 °C(lit.)
Dampfdruck
23 hPa · 23 hPa (195 °C)
Brechungsindex
1.439 · 1.4390
Flammpunkt
82 °F · 82 °F
storage temp.
30 °C · Store below +30°C.
Löslichkeit
Miscible with alcohol, isopropyl alcohol and toluene.
Aggregatzustand
Oily Liquid
Farbe
Light yellow
Wichte
0.9671 · 0.9671
Explosionsgrenze
1.7 · 1.7-9.8%(V)

Sicherheit und Regulatorisches

Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.

GHS-Klassifizierung

GHS Classification · 6 Einträge

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]

Gefahrenhinweise

Regulatory Information · 5 Einträge

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 · 2 Einträge

Flam. Liq. 3 (100%)

Flam. Liq. 2 (59.1%)

Sicherheit und Schutzausrüstung

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

12 [mg/m3]

Chemie und Industrie

Pharmakologische Informationen

Metabolism/Metabolites · 1 Eintrag

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)

Verwendung und Herstellung

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

Anwendungen

VerwendenIt 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.

Vor- und nachgelagerte Produkte

Vorgelagerte Rohstoffe

ButylFormateAluminiumtriisopropanolatAluminium

Nachgelagerte Produkte

Zugehörige Reaktionen

4
Reaktionsaufzeichnung erstellen
Reaktionsgleichung von HRID 630567
HRID 630567als Eduktuspto-grants-2016_04
Reaktionsgleichung von HRID 991364
HRID 991364als Eduktuspto-grants-2002_10
Reaktionsgleichung von HRID 1060192
HRID 1060192als Eduktuspto-grants-2003_02
Reaktionsgleichung von HRID 1530926
HRID 1530926als Eduktuspto-grants-2001_03

Notizen zur Verbindung

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Wasserlöslichkeit
decomposes
BRN
3910908 · 3910908
Stabilität
Stability Stable, but may decompose upon exposure to air and moisture. Flammable. Incompatible with strong oxidizing agents, strong acids, water.
Kosmetik-Inhaltsstoffe Funktionen
LIGHT STABILIZER
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
CAS Datenbank
2269 · 2269-22-9(CAS DataBase Reference)
NIST chemische Informationen
Aluminum tri-sec-butoxide(2269-22-9)
EPA chemische Informationen
2 · 2-Butanol, aluminum salt (2269-22-9)

73 [mg/m3]

440 [mg/m3]

Toxikologische Informationen

Health Effects · 1 Eintrag

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 · 1 Eintrag

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 · 1 Eintrag

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 · 1 Eintrag

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).

Sicherheitsdaten

F
3-10-23
wgk
3
tsca
TSCA listed
ridadr
UN 1992 3/PG 3
hs_code
29051900
risk_code
40-21/22-10
Toxizität
LD50 orally in Rabbit: 401 mg/kg LD50 dermal Rabbit 402 mg/kg
hazard_code
Xn,Xi
safety_code
36/37-45-43-36/37/39-26-16
hazard_class
3
packing_group
III
Speicherklasse
3 - Flammable liquids
Hazard Classifications
Acute Tox. 3 DermalAcute Tox. 4 OralFlam. Liq. 3
Selbstentzündungstemperatur
763 °F
Pentacen

Anbieter100 Anbieter

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