Heptane, 4-(1-methylethyl)-

Base Information

• Chemical Name: Heptane, 4-(1-methylethyl)-
• CAS No.: 52896-87-4
• Molecular Formula: C10H22
• Molecular Weight: 142.285
• Hs Code.: 2901100000
• DSSTox Substance ID: DTXSID70200934
• Nikkaji Number: J113.379I
• Wikidata: Q5652290
• Mol file: 52896-87-4.mol

Synonyms:4-Isopropylheptane;Heptane, 4-(1-methylethyl)-;52896-87-4;4-isopropyl-heptane;DTXSID70200934;AZLAWGCUDHUQDB-UHFFFAOYSA-N;Q5652290

Chemical Property of Heptane, 4-(1-methylethyl)-

Chemical Property:

• Vapor Pressure: 3.15mmHg at 25°C
• Melting Point: -53.99°C
• Refractive Index: 1.4132
• Boiling Point: 160.1°C at 760 mmHg
• Flash Point: 82.8°C
• PSA: 0.00000
• Density: 0.732g/cm³
• LogP: 3.85880
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 5
• Exact Mass: 142.172150702
• Heavy Atom Count: 10
• Complexity: 58.4

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Chemical Classes: Solvents -> Aliphatics, Saturated (
• Canonical SMILES: CCCC(CCC)C(C)C

Technology Process of Heptane, 4-(1-methylethyl)-

There total 2 articles about Heptane, 4-(1-methylethyl)- 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:

cis-decahydronaphthalene → trans-bicyclo[4.4.0]decane + 3,4-diethylhexane (19398-77-7) + octane, 4-ethyl- (15869-86-0) + 5,5-dimethyloctane (15869-96-2) + decane (124-18-5) + 5-methylnonane (15869-85-9) + 4-methyloctane (2216-34-4) + 3-ethylheptane (15869-80-4) + 4-ethyl-3-methylheptane (52896-89-6) + 4-(1-methylethyl)-heptane (52896-87-4)

Guidance literature:

With 2.59 wt.% iridium on non-acidic silica; hydrogen; at 290 ℃; under 39003.9 Torr; Autoclave;

DOI:10.1016/j.apcata.2012.03.010

Reference yield:

4-isopropyl-heptan-4-ol (51200-82-9) → 4-(1-methylethyl)-heptane (52896-87-4)

Guidance literature:

With phosphorus pentoxide; Hydrieren des erhaltenen Olefins an Raney-Nickel bei 180grad und 120 at;

upstream raw materials:

4-isopropyl-heptan-4-ol