DI-N-BUTYL PHTHALATE (RING-D4)

Base Information

Chemical Name:DI-N-BUTYL PHTHALATE (RING-D4)
CAS No.:93952-11-5
Molecular Formula:C16H18 D4 O4
Molecular Weight:282.317
Hs Code.:
European Community (EC) Number:685-197-7
DSSTox Substance ID:DTXSID70583931
Nikkaji Number:J1.081.442A
Wikidata:Q82475542
Mol file:93952-11-5.mol

Synonyms:DI-N-BUTYL PHTHALATE-3,4,5,6-D4;DI-N-BUTYL PHTHALATE-D4;DI-N-BUTYL PHTHALATE (RING-D4);DIBUTYL PHTHALATE-3,4,5,6-D4;DIBUTYL PHTHALATE-D4;DIBUTYL PHTHALATE-3,4,5,6-D4, 98 ATOM % D

Suppliers and Price of DI-N-BUTYL PHTHALATE (RING-D4)

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

Usbiological
Dibutyl Phthalate-d4
10mg
$ 460.00

TRC
DibutylPhthalate-d4
250mg
$ 1150.00

Sigma-Aldrich
Dibutyl phthalate-3,4,5,6-d4 analytical standard
25mg
$ 273.00

Sigma-Aldrich
Dibutyl phthalate-3,4,5,6-d4 98 atom % D
25mg
$ 243.00

Sigma-Aldrich
Dibutyl phthalate-3,4,5,6-d4 98 atom % D
250mg
$ 675.00

Medical Isotopes, Inc.
Di-n-butylPhthalate-3,4,5,6-d4
100 mg
$ 490.00

American Custom Chemicals Corporation
DI-N-BUTYL PHTHALATE-3,4,5,6-D4 95.00%
5MG
$ 498.28

Total 14 raw suppliers

Chemical Property of DI-N-BUTYL PHTHALATE (RING-D4)

Chemical Property:

Vapor Pressure:0.000108mmHg at 25°C
Melting Point:−35 °C(lit.)
Refractive Index:n20/D 1.492(lit.)
Boiling Point:340 °C(lit.)
Flash Point:340 °F
PSA：52.60000
Density:1.058 g/mL at 25 °C
LogP:3.60040
XLogP3:4.7
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:10
Exact Mass:282.17691616
Heavy Atom Count:20
Complexity:271

Purity/Quality:

99%, ^*data from raw suppliers

Dibutyl Phthalate-d4 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:T,N
Statements: 61-50-62
Safety Statements: 53-45-61

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCOC(=O)C1=CC=CC=C1C(=O)OCCCC
Isomeric SMILES:[2H]C1=C(C(=C(C(=C1[2H])C(=O)OCCCC)C(=O)OCCCC)[2H])[2H]
Uses Isotope labelled analogue of Dibutyl Phthalate (D429495), a phthalate metabolite with genotoxic effect.

Technology Process of DI-N-BUTYL PHTHALATE (RING-D4)

There total 2 articles about DI-N-BUTYL PHTHALATE (RING-D4) 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: 98.5%

: 87976-26-9
3,4,5,6-tetradeuterophtaloyl dicarboxylic acid

: 71-36-3
butan-1-ol

: 93952-11-5
dibutyl phthalate-3,4,5,6-d₄

Guidance literature:: With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 20 ℃; for 1h;
DOI:10.1002/jlcr.3930

Reference yield:

: 56004-61-6
o-xylene-d10

: 93952-11-5
dibutyl phthalate-3,4,5,6-d₄

Guidance literature:: Multi-step reaction with 2 steps

1: potassium permanganate; water / 2-methyl-propan-1-ol / 20 °C / Reflux

2: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / dichloromethane / 1 h / 20 °C

With dmap; potassium permanganate; water; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; 2-methyl-propan-1-ol;
DOI:10.1002/jlcr.3930