Menthyl borate

Base Information

• Chemical Name: Menthyl borate
• CAS No.: 635-20-1
• Deprecated CAS: 103799-70-8,19013-38-8
• Molecular Formula: C30H57BO3
• Molecular Weight: 476.592
• European Community (EC) Number: 263-701-2
• UNII: Q9A4FNB1ZQ
• Wikidata: Q27287144
• Mol file: 635-20-1.mol

Synonyms:Menthyl borate;p-Menth-3-yl borate;Q9A4FNB1ZQ;Menthol, triester with boric acid (H3BO3);EINECS 211-229-2;EINECS 263-701-2;62697-74-9;rel-Tris((1R,2S,5R)-2-isopropyl-5-methylcyclohexyl) borate;Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1,1',1''-triester with boric acid (H3BO3), (1R,1'R,1''R,2S,2'S,2''S,5R,5'R,5''R)-rel-;C30H57BO3;C30-H57-B-O3;Cyclohexanol, 5-methyl-2-(1-methylethyl)-, triester with boric acid (H3BO3);Cyclohexanol, 5-methyl-2-(1-methylethyl)-, triester with boric acid (H3BO3), (1R,1'R,1''R,2S,2'S,2''S,5R,5'R,5''R)-rel-;starbld0016599;UNII-Q9A4FNB1ZQ;MENTHYL BORATE [MI];MENTHYL BORATE, (-)-;Cyclohexanol, 5-methyl-2-(1-methylethyl)-, triester with boric acid(H3BO3);Cyclohexanol, 5-methyl-2-(1-methylethyl)-, triester with boric acid(H3BO3), stereoisomer;Cyclohexanol, 5-methyl-2-(1-methylethyl)-, triester with boric acid(H3BO3), (1R,2S,5R)-rel-;EINECS 244-212-3;Q27287144;MENTHOL, TRIESTER WITH BORIC ACID (H3BO3), (-)-;5-Methyl-2-(1-methylethyl)cyclohexanol, triester with boric acid (H3BO3), stereoisomer;5-Methyl-2-(1-methylethyl)cyclohexanol, triester with boris acid (H3BO3), stereoisomer;Cyclohexanol, 5-methyl-2-(1-methylethyl)-, 1,1',1''-triester with boric acid (H3BO3);CYCLOHEXANOL, 5-METHYL-2-(1-METHYLETHYL)-, TRIESTER WITH BORIC ACID (H3BO3), (1R,1'R,1''R,2S,2'S,2''S,5R,5'R,5''R)-

Chemical Property of Menthyl borate

Chemical Property:

• Vapor Pressure: 2.1E-09mmHg at 25°C
• Boiling Point: 493.6°Cat760mmHg
• Flash Point: 183.3°C
• Density: 0.93g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 9
• Exact Mass: 476.4400758
• Heavy Atom Count: 34
• Complexity: 513

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: B(OC1CC(CCC1C(C)C)C)(OC2CC(CCC2C(C)C)C)OC3CC(CCC3C(C)C)C
• Isomeric SMILES: B(O[C@@H]1C[C@@H](CC[C@H]1C(C)C)C)(O[C@@H]2C[C@@H](CC[C@H]2C(C)C)C)O[C@@H]3C[C@@H](CC[C@H]3C(C)C)C

Technology Process of Menthyl borate

There total 3 articles about Menthyl borate which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.0%

menthol (89-78-1) + boric acid (11113-50-1,14635-83-7) → B(O-d,l-menthyl)3 (635-20-1,97996-39-9)

Guidance literature:

In toluene; for 12h; Inert atmosphere; Reflux;

Reference yield:

borane-THF (14044-65-6) + menthol (89-78-1) → B(O-d,l-menthyl)3 (635-20-1,97996-39-9)

Guidance literature:

lithium triethylborohydride; In tetrahydrofuran; byproducts: H2; at 20°C with and without catalyst;

DOI:10.1246/cl.1992.349

Reference yield:

→ B(O-d,l-menthyl)3 (635-20-1,97996-39-9)

Guidance literature:

l-Menthol, BH3*S(CH3)2;

DOI:10.1021/jo00407a051

upstream raw materials:

borane-THF

menthol

boric acid

Refernces

• 1、 Masuda, Yuzuru,Nunokawa, Yutaka,Hoshi, Masayuki,Arase, Akira. "Ready Preparation of Trialkoxyboranes and Dialkoxyboranes by LiBEt3H-Promoted Reaction of BH3 in Tetrahydrofuran with Alcohols". . p. 349 - 352. Retrieved 2007/10/02.