M-DI(Sec-butyl)benzene

Base Information

• Chemical Name: M-DI(Sec-butyl)benzene
• CAS No.: 1079-96-5
• Molecular Formula: C14H22
• Molecular Weight: 190.329
• Hs Code.: 2902909090
• DSSTox Substance ID: DTXSID80910577
• Nikkaji Number: J103.843E
• Mol file: 1079-96-5.mol

Synonyms:M-DI(SEC-BUTYL)BENZENE;1079-96-5;1,3-di(butan-2-yl)benzene;1,3-Di-sec-butylbenzene;Benzene, m-di-sec-butyl-;Benzene, 1,3-bis(1-methylpropyl)-;1,3-di-s-butylbenzene;1,3-Disec-butylbenzene #;DTXSID80910577;SGJNVYYELDBNLA-UHFFFAOYSA-N;AKOS040752967

Chemical Property of M-DI(Sec-butyl)benzene

Chemical Property:

• Vapor Pressure: 0.0643mmHg at 25°C
• Boiling Point: 238.7°Cat760mmHg
• Flash Point: 95°C
• PSA: 0.00000
• Density: 0.855g/cm³
• LogP: 4.71360
• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 4
• Exact Mass: 190.172150702
• Heavy Atom Count: 14
• Complexity: 134

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C1=CC(=CC=C1)C(C)CC

Technology Process of M-DI(Sec-butyl)benzene

There total 9 articles about M-DI(Sec-butyl)benzene 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: 33.0%

1-butylene (106-98-9,9003-28-5) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → sec-Butylbenzene (135-98-8,36383-15-0) + (R)(S)-1,3,5-tri-(1-methylpropyl)benzene (6565-55-5,64282-70-8) + 1,4-di-sec-butylbenzene (1014-41-1) + 1,3-di-sec-butylbenzene (1079-96-5)

Guidance literature:

aluminium trichloride; at 50 ℃; Further Variations:; Temperatures; amount of catalyst; molar ratio of reaction partners; Product distribution;

Reference yield: 11.6%

1-butylene (106-98-9,9003-28-5) + (Z)-2-Butene (590-18-1) + trans-2-Butene (624-64-6) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → 1,2-di-s-butylbenzene (1013-03-2) + sec-Butylbenzene (135-98-8,36383-15-0) + 1,2,4-tri-sec-butylbenzene (61064-05-9,64282-71-9) + 1,4-di-sec-butylbenzene (1014-41-1) + 1,3-di-sec-butylbenzene (1079-96-5)

Guidance literature:

specimen (II); at 50 ℃; Product distribution;

Reference yield:

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + trans-2-Butene (624-64-6) + benzene (71-43-2,26181-88-4,54682-86-9,13967-78-7,174973-66-1) → Isopropylbenzene (98-82-8) + 1,4-bis(1-methylethyl)benzene (100-18-5) + 1,3,5-triisopropyl benzene (717-74-8) + sec-Butylbenzene (135-98-8,36383-15-0) + 1,3-diisopropylbenzene (99-62-7) + 1,4-di-sec-butylbenzene (1014-41-1) + 1,3-di-sec-butylbenzene (1079-96-5)

Guidance literature:

zeolite beta CP 786 catalyst; at 133 ℃; under 15654.3 Torr; Product distribution / selectivity;

upstream raw materials:

sec-Butylbenzene

1-butylene

(Z)-2-Butene

trans-2-Butene