1-Phenyl-d5-ethanol

Base Information

Chemical Name:1-Phenyl-d5-ethanol
CAS No.:90162-45-1
Molecular Formula:C8H5 D5 O
Molecular Weight:127.127
Hs Code.:
European Community (EC) Number:693-128-7
DSSTox Substance ID:DTXSID30575817
Mol file:90162-45-1.mol

Synonyms:1-Phenyl-d5-ethanol;90162-45-1;1-(2,3,4,5,6-pentadeuteriophenyl)ethanol;sec-Phen-d5-ethyl alcohol;alpha-Methylbenzyl-ring-d5 alcohol;SCHEMBL1332178;DTXSID30575817;1-(~2~H_5_)Phenylethan-1-ol;1-Phenyl-d5-ethanol, 98 atom % D;AKOS015912938;D98355

Suppliers and Price of 1-Phenyl-d5-ethanol

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

Medical Isotopes, Inc.
(+-)-1-Phenyl-d5-ethanol
5 g
$ 795.00

Total 3 raw suppliers

Chemical Property of 1-Phenyl-d5-ethanol

Chemical Property:

Vapor Pressure:0.139mmHg at 25°C
Melting Point:19-20 °C(lit.)
Refractive Index:n20/D 1.532(lit.)
Boiling Point:204 °C745 mm Hg(lit.)
Flash Point:185 °F
PSA：20.23000
Density:1.065 g/mL at 25 °C
LogP:1.73990
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:127.104548668
Heavy Atom Count:9
Complexity:74.6

Purity/Quality:

98%min ^*data from raw suppliers

(+-)-1-Phenyl-d5-ethanol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xn
Statements: 20/21/22-36/37/38-41-38-22
Safety Statements: 26-28-36/37/39-45-39

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C1=CC=CC=C1)O
Isomeric SMILES:[2H]C1=C(C(=C(C(=C1[2H])[2H])C(C)O)[2H])[2H]
Uses (±)-1-Phenyl-d5-ethanol (CAS# 90162-45-1) is a useful isotopically labeled research compound.

Technology Process of 1-Phenyl-d5-ethanol

There total 3 articles about 1-Phenyl-d5-ethanol 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: 81.4%

: 4165-57-5
bromobenzene-d5

: 75-07-0,9002-91-9
acetaldehyde

: 90162-45-1
1-[2',3',4',5',6'-²H₅]phenylethanol

Guidance literature:: bromobenzene-d5; With n-butyllithium; In tetrahydrofuran; hexane;

acetaldehyde; In tetrahydrofuran; hexane; at 20 ℃; for 0.583333h;
DOI:10.1021/jo991856t

Reference yield:

: 28077-64-7
acetophenone-d5

: 90162-45-1
1-[2',3',4',5',6'-²H₅]phenylethanol

Guidance literature:: With lithium aluminium tetrahydride;
DOI:10.1016/0022-2860(91)87144-7

Reference yield:

: 1076-43-3
benzene-d6

: 90162-45-1
1-[2',3',4',5',6'-²H₅]phenylethanol

Guidance literature:: Multi-step reaction with 2 steps

1: AlCl₃ / CS₂

2: LiAlH₄

With lithium aluminium tetrahydride; aluminium trichloride; In carbon disulfide;
DOI:10.1016/0022-2860(91)87144-7