Hexane-1-13C

Base Information

Chemical Name:Hexane-1-13C
CAS No.:27581-27-7
Molecular Formula:C₆H₁₄
Molecular Weight:87.1662
Hs Code.:
European Community (EC) Number:685-209-0
DSSTox Substance ID:DTXSID10583879
Nikkaji Number:J1.285.897C
Wikidata:Q82475488
Mol file:27581-27-7.mol

Synonyms:Hexane-1-13C;(113C)hexane;27581-27-7;(1-~13~C)Hexane;DTXSID10583879;Hexane-1-13C, 99 atom % 13C;NS00076203

Suppliers and Price of Hexane-1-13C

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
HEXANE-1-13C 95.00%
5MG
$ 497.67

Total 1 raw suppliers

Chemical Property of Hexane-1-13C

Chemical Property:

Melting Point:−95 °C(lit.)
Refractive Index:n20/D 1.375(lit.)
Boiling Point:69 °C(lit.)
Flash Point:−10 °F
PSA：0.00000
Density:0.667 g/mL at 25 °C
LogP:2.58660
XLogP3:3.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:0
Rotatable Bond Count:3
Exact Mass:87.112905282
Heavy Atom Count:6
Complexity:12

Purity/Quality:

99% by CP; 99% atom 13C ^*data from raw suppliers

HEXANE-1-13C 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s): F,Xn,N
Hazard Codes:F,Xn,N
Statements: 11-38-48/20-51/53-62-65-67
Safety Statements: 9-16-29-33-36/37-61-62

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCC
Isomeric SMILES:CCCCC[13CH3]

Technology Process of Hexane-1-13C

There total 3 articles about Hexane-1-13C 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:

: 27809-89-8
2-methylpentane(2-13C)

: 27581-27-7
n-hexane(1-13C)

: 27758-81-2
3-methylpentane(2-13C)

: 27758-76-5
2-methyl(1-13C)pentane

: 35078-86-5
n-hexane(3-13C)

Guidance literature:: With hydrogen; oxygen modified WC; at 350 ℃; Title compound not separated from byproducts.;
DOI:10.1039/b000635l

Reference yield:

: C₂₅⁽¹³⁾CH₆₂O₆Si₅

: 27581-27-7
n-hexane(1-13C)

: 2-(13C)-methyl(5-13C)-pentane

: 3-(13C)-methyl(1-13C)-pentane

: 2,3-dimethyl-[1-¹³C]butane

Guidance literature:: With H₂SiEt₂; [(2,6-[OP(tBu)2]2C₆H₃)Ir(H)(acetone)]⁺[B(C₆F₅)4]^-; for 72h; Inert atmosphere; Glovebox;
DOI:10.1021/ja3110494

Reference yield:

: 1418118-71-4
C₂₅⁽¹³⁾CH₆₂O₆Si₅

: 27581-27-7
n-hexane(1-13C)

: 2-(13C)-methyl(5-13C)-pentane

: 3-(13C)-methyl(1-13C)-pentane

: 2,3-dimethyl-[1-¹³C]butane

Guidance literature:: With H₂SiEt₂; [(2,6-[OP(tBu)2]2C₆H₃)Ir(H)(acetone)]⁺[B(C₆F₅)4]^-; for 504h; Inert atmosphere; Glovebox;
DOI:10.1021/ja3110494