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3085-30-1

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Basic Information
CAS No.: 3085-30-1
Name: Aluminum n-butoxide
Molecular Structure:
Molecular Structure of 3085-30-1 (Aluminum n-butoxide)
Formula: C4H10O·1/3 Al
Molecular Weight: 246.326
Synonyms: 1-Butanol,aluminum salt (9CI);Aluminum butoxide (6CI,7CI);Butyl alcohol, aluminum salt(8CI);AKA 020;Aluminum butanolate;Aluminum butylate;Aluminum n-butoxide;Aluminum n-butylate;Aluminum tributoxide;Aluminum tributoxide (Al(OBu)3);Aluminum tributylate;Tributoxyaluminum;Tributyl aluminate;Tris(butoxy)aluminum;
EINECS: 221-394-2
Density: 1.025[at 20℃]
Melting Point: 103-110 °C
Boiling Point: 242 °C
Flash Point: 35 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36
PSA: 27.69000
LogP: 3.80220
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Specification

The 1-Butanol, aluminumsalt (3:1), with the CAS registry number 3085-30-1, is also known as Aluminum n-butoxide. Its EINECS registry number is 221-394-2. This chemical's molecular formula is C4H10O·1/3 Al and molecular weight is 246.32. What's more, its systematic name is called Tributoxyalumane.

Physical properties about 1-Butanol, aluminumsalt (3:1) are: (1)#H bond acceptors: 3; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 12; (4)Polar Surface Area: 27.69 Å2; (5)Flash Point: >65 °C; (6)Melting Point: 103-110 °C; (7)Boiling Point: 242 °C at 760 mmHg.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: CCCCO[Al](OCCCC)OCCCC
(2) InChI: InChI=1/3C4H9O.Al/c3*1-2-3-4-5;/h3*2-4H2,1H3;/q3*-1;+3/rC12H27AlO3/c1-4-7-10-14-13(15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
(3) InChIKey: MYWQGROTKMBNKN-YPEBSFKDAE