1-Octan-d17-ol

Base Information

Chemical Name:1-Octan-d17-ol
CAS No.:153336-13-1
Molecular Formula:C₈H₁₈O
Molecular Weight:148.087
Hs Code.:
European Community (EC) Number:686-067-2
DSSTox Substance ID:DTXSID10583733
Wikidata:Q82475337
Mol file:153336-13-1.mol

Synonyms:1-Octan-d17-ol;1-Octanol-d17;153336-13-1;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecadeuteriooctan-1-ol;(~2~H_17_)Octan-1-ol;DTXSID10583733;153336-13-1 (unlabeled);HY-W032013S;1-Octan-d17-ol, 98 atom % D;1-Octan-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-d17-ol;AKOS015912708;CS-0374760;D98947;J-009002

Suppliers and Price of 1-Octan-d17-ol

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

TRC
1-Octanol-d17
100mg
$ 140.00

Sigma-Aldrich
1-Octan-d17-ol 98 atom % D
1g
$ 509.00

Medical Isotopes, Inc.
n-Octyl-d17Alcohol
1 g
$ 1370.00

Medical Isotopes, Inc.
1-Octanol-d17
500 mg
$ 1025.00

American Custom Chemicals Corporation
1-OCTAN-D17-OL 95.00%
1G
$ 903.50

American Custom Chemicals Corporation
1-OCTAN-D17-OL 95.00%
500MG
$ 721.59

Total 5 raw suppliers

Chemical Property of 1-Octan-d17-ol

Chemical Property:

Vapor Pressure:0.114mmHg at 25°C
Melting Point:−15 °C(lit.)
Refractive Index:n20/D 1.426(lit.)
Boiling Point:196 °C(lit.)
Flash Point:178 °F
PSA：20.23000
Density:0.936 g/mL at 25 °C
LogP:2.33920
Storage Temp.:Refrigerator, Under inert atmosphere
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:6
Exact Mass:147.242469875
Heavy Atom Count:9
Complexity:43.8

Purity/Quality:

97% ^*data from raw suppliers

1-Octanol-d17 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi
Statements: 36/37/38
Safety Statements: 26-36

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCO
Isomeric SMILES:[2H]C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])C([2H])([2H])O
Uses 1-Octanol-d17, is the labeled analogue of 1-Octanol (O237900), which is an fatty acid alcohol that is used industrially to form various synthetic intermediate and pharmaceuticals.

Technology Process of 1-Octan-d17-ol

There total 3 articles about 1-Octan-d17-ol 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: 89.2%

: 54920-49-9
octanoic acid-d16

: 153336-13-1,69974-54-5
octanol-d18

Guidance literature:: With lithium aluminium deuteride; In diethyl ether; for 8h; Heating;

Reference yield:

: 124-07-2
Octanoic acid

: 153336-13-1
1-octanol-d17

Guidance literature:: Octanoic acid; With [D]-sodium hydroxide; platinum on activated charcoal; water-d2; at 220 ℃; for 72h; under 155149 Torr;

With lithium aluminium tetrahydride; lithium aluminium deuteride; at 350 ℃;
DOI:10.1111/febs.14345

Reference yield:

: 98195-41-6
n-heptyl-d15 cyanide

: 153336-13-1,69974-54-5
octanol-d18

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) D₂O, NaOD, 2.) D₂SO₄ / 1.) reflux, 8 h, 2.) 0 deg C, 3 h

2: 89.2 percent / LiAlD₄ / diethyl ether / 8 h / Heating

With lithium aluminium deuteride; deuteriated sodium hydroxide; water-d2; sulfuric acid-d2; In diethyl ether;