Dioctyl phthalate-3,4,5,6-d4

Base Information

Chemical Name:Dioctyl phthalate-3,4,5,6-d4
CAS No.:93952-13-7
Molecular Formula:C₂₄H₃₈O₄
Molecular Weight:394.532
Hs Code.:
DSSTox Substance ID:DTXSID30583593
Wikidata:Q82475182
Mol file:93952-13-7.mol

Synonyms:93952-13-7;Dioctyl phthalate-3,4,5,6-d4;Di-n-octyl Phthalate-d4;Dioctyl phthalate-d4;DI-N-OCTYL PHTHALATE (RING-D4);dioctyl 3,4,5,6-tetradeuteriobenzene-1,2-dicarboxylate;Phthalic acid bis-n-octyl ester-3,4,5,6-D4;1,2-Benzene-3,4,5,6-d4-dicarboxylic acid, dioctyl ester (9CI);Phthalic Acid Di-n-octyl Ester (3,4,5,6)-D4;d4-dioctyl phthalate;Phthalic acid, bis-n-octyl ester D4;Dioctyl (~2~H_4_)benzene-1,2-dicarboxylate;SCHEMBL1331204;Di-N-octyl phthalate(ring-d4);DTXSID30583593;MQIUGAXCHLFZKX-AMEAAFLOSA-N;HY-W013755S;1ST1121D4;Phthalic acid, bis-n-octyl ester D4 100 microg/mL in Acetonitrile;AKOS015916165;AS-83339;CS-0202311;D99200;1,2-dioctyl ((2)H?)benzene-1,2-dicarboxylate;Dioctyl phthalate-3,4,5,6-d4, 98 atom % D;Dioctyl phthalate-3,4,5,6-d4, analytical standard

Suppliers and Price of Dioctyl phthalate-3,4,5,6-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
Di-n-octyl Phthalate-d4
10mg
$ 425.00

TRC
Di-n-octylPhthalate-d4
100mg
$ 465.00

TRC
Di-n-octylPhthalate-d4
10mg
$ 145.00

Sigma-Aldrich
Dioctyl phthalate-3,4,5,6-d4 98 atom % D
100mg
$ 328.00

Sigma-Aldrich
Dioctyl phthalate-3,4,5,6-d4 analytical standard
25mg
$ 265.00

Medical Isotopes, Inc.
Di-n-octylPhthalate-d4
100 mg
$ 2000.00

Medical Isotopes, Inc.
Di-n-octylPhthalate-d4
10 mg
$ 625.00

American Custom Chemicals Corporation
DI-N-OCTYL PHTHALATE-3,4,5,6-D4 95.00%
5MG
$ 505.12

Total 11 raw suppliers

Chemical Property of Dioctyl phthalate-3,4,5,6-d4

Chemical Property:

Vapor Pressure:3.84E-07mmHg at 25°C
Melting Point:−50 °C(lit.)
Refractive Index:n20/D 1.486(lit.)
Boiling Point:384 °C(lit.)
Flash Point:405 °F
PSA：52.60000
Density:0.991 g/mL at 25 °C
LogP:6.72120
Storage Temp.:Refrigerator
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:9.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:18
Exact Mass:394.30211667
Heavy Atom Count:28
Complexity:369

Purity/Quality:

99%, ^*data from raw suppliers

Di-n-octyl Phthalate-d4 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCOC(=O)C1=CC=CC=C1C(=O)OCCCCCCCC
Isomeric SMILES:[2H]C1=C(C(=C(C(=C1[2H])C(=O)OCCCCCCCC)C(=O)OCCCCCCCC)[2H])[2H]
Uses A labelled phthalate ester used as plasticizers and additives. Used in toxiciology studies as well as risk assessment studies of food contamination that occurs via migration of phthalates into foodstuffs from food-contact materials (FCM). DI-N-OCTYL PHTHALATE (RING-D4) is a labelled phthalate ester used as plasticizers and additives. Used in toxiciology studies as well as risk assessment studies of food contamination that occurs via migration of phthalates into foodstuffs from food-contact materials (FCM).

Technology Process of Dioctyl phthalate-3,4,5,6-d4

There total 2 articles about Dioctyl phthalate-3,4,5,6-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: 98.1%

: 111-87-5
octanol

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

: 93952-13-7
dioctyl 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

: 93952-13-7
dioctyl 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