2-(3,4-Dimethylbenzyl)propane-1,3-diol

Base Information

Chemical Name:2-(3,4-Dimethylbenzyl)propane-1,3-diol
CAS No.:289902-88-1
Molecular Formula:C12H18 O2
Molecular Weight:194.27000
Hs Code.:2906299090
DSSTox Substance ID:DTXSID20593469
Wikidata:Q82487960
Mol file:289902-88-1.mol

Synonyms:289902-88-1;2-(3,4-DIMETHYLBENZYL)PROPANE-1,3-DIOL;2-[(3,4-dimethylphenyl)methyl]propane-1,3-diol;1,3-Propanediol, 2-[(3,4-dimethylphenyl)methyl]-;2-[(3,4-Dimethylphenyl)methyl]-1,3-propanediol;SCHEMBL6377004;DTXSID20593469;AKOS015891448;SB84289;DB-013893;A819707

Suppliers and Price of 2-(3,4-Dimethylbenzyl)propane-1,3-diol

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

Crysdot
2-(3,4-Dimethylbenzyl)propane-1,3-diol 95+%
5g
$ 823.00

Chemenu
2-(3,4-dimethylbenzyl)propane-1,3-diol 95%
5g
$ 777.00

Alichem
2-(3,4-Dimethylbenzyl)propane-1,3-diol
1g
$ 400.00

Total 5 raw suppliers

Chemical Property of 2-(3,4-Dimethylbenzyl)propane-1,3-diol

Chemical Property:

Vapor Pressure:7.04E-06mmHg at 25°C
Boiling Point:362.2oC at 760 mmHg
Flash Point:174.6oC
PSA：40.46000
Density:1.06g/cm3
LogP:1.44670
XLogP3:1.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:194.130679813
Heavy Atom Count:14
Complexity:154

Purity/Quality:

99%, ^*data from raw suppliers

2-(3,4-Dimethylbenzyl)propane-1,3-diol 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C=C(C=C1)CC(CO)CO)C

Technology Process of 2-(3,4-Dimethylbenzyl)propane-1,3-diol

There total 3 articles about 2-(3,4-Dimethylbenzyl)propane-1,3-diol 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: 92.0%

: 289902-87-0
diethyl 3,4-dimethylbenzylmalonate

: 289902-88-1
2-(3,4-dimethylbenzyl)-1,3-propanediol

Guidance literature:: With lithium aluminium tetrahydride; In diethyl ether; at 20 ℃; for 3h;
DOI:10.1016/S0968-0896(00)00216-9

Reference yield: 92.0%

: 289902-88-1
2-(3,4-dimethylbenzyl)-1,3-propanediol

Guidance literature:

Reference yield:

: 102-46-5
4-(chloromethyl)-1,2-dimethylbenzene

: 289902-88-1
2-(3,4-dimethylbenzyl)-1,3-propanediol

Guidance literature:: Multi-step reaction with 2 steps

1: 70 percent / NaH / dimethylformamide / 20 °C

2: 92 percent / LiAlH₄ / diethyl ether / 3 h / 20 °C

With lithium aluminium tetrahydride; sodium hydride; In diethyl ether; N,N-dimethyl-formamide;
DOI:10.1016/S0968-0896(00)00216-9