1,2-Benzenedimethanol

Base Information

• Chemical Name: 1,2-Benzenedimethanol
• CAS No.: 612-14-6
• Molecular Formula: C8H10O2
• Molecular Weight: 138.166
• Hs Code.: 29062900
• European Community (EC) Number: 210-293-9
• NSC Number: 403013
• UNII: M3SLJ97BU6
• DSSTox Substance ID: DTXSID4060604
• Nikkaji Number: J134.736E
• Wikidata: Q72445065
• Mol file: 612-14-6.mol

Synonyms:o-Xylene-a,a'-diol (6CI,7CI,8CI);(2-Hydroxymethylphenyl)methanol;1,2-Bis(hydroxymethyl)benzene;1,2-Di(hydroxymethyl)benzene;NSC 403013;Phthalylalcohol;o-Benzenedimethanol;o-Bis(hydroxymethyl)benzene;o-Hydroxymethylbenzyl alcohol;o-Xylene glycol;o-Xylylene glycol;o-Xylylenediol;a,a'-Dihydroxy-o-xylene;

Chemical Property of 1,2-Benzenedimethanol

Chemical Property:

• Appearance/Colour: white to light yellow powder
• Vapor Pressure: 0.000902mmHg at 25°C
• Melting Point: 63-65 °C(lit.)
• Refractive Index: 1.583
• Boiling Point: 291.3 °C at 760 mmHg
• PKA: 13.96±0.10(Predicted)
• Flash Point: 145.3
• PSA: 40.46000
• Density: 1.18 g/cm³
• LogP: 0.67120
• Storage Temp.: Store below +30°C.
• Solubility.: 158g/l
• Water Solubility.: Soluble in water, ether, ethanol, benzene.
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 138.068079557
• Heavy Atom Count: 10
• Complexity: 81.3

Purity/Quality:

99% ^*data from raw suppliers

1,2-Benzenedimethanol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/22
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)CO)CO
• Uses: 1,2-Benzenedimethanol is a raw material used in chemical synthesis.

Technology Process of 1,2-Benzenedimethanol

There total 62 articles about 1,2-Benzenedimethanol 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: 100.0%

2-benzofuran-1(3H)-one (87-41-2) → phthalyl alcohol (612-14-6)

Guidance literature:

With sodium aluminum tetrahydride; In tetrahydrofuran; at 0 ℃; for 0.25h;

DOI:10.1021/jo00069a042

Reference yield: 99.0%

phthalic acid dimethyl ester (131-11-3,64441-70-9) → phthalyl alcohol (612-14-6)

Guidance literature:

With C₂₄H₃₈Cl₂N₃PRu; hydrogen; sodium methylate; In isopropyl alcohol; at 100 ℃; for 2h; under 38002.6 Torr; Autoclave;

DOI:10.1039/c4gc00835a

Reference yield: 98.0%

Diethyl phthalate (84-66-2) → phthalyl alcohol (612-14-6)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 0 - 20 ℃; for 20h; Inert atmosphere;

DOI:10.1039/c6ob01358a

upstream raw materials:

2-benzofuran-1(3H)-one

phthalic anhydride

Diethyl phthalate

monoethyl phthalate

Downstream raw materials:

1,2-bisbenzene

1,3-dihydroisobenzofuran

2-benzofuran-1(3H)-one

o-Xylylene dichloride

Refernces

• 1、 Wickel, Holger,Agarwal, Seema. "Synthesis and characterization of copolymers of 5,6-benzo-2-methylene-1,3-dioxepane and styrene". . p. 6152 - 6159. Retrieved 2003.
• 2、 Wickel, Holger,Agarwal, Seema,Greiner, Andreas. "Homopolymers and random copolymers of 5,6-benzo-2-methylene-1,3-dioxepane and methyl methacrylate: Structural characterization using 1D and 2D NMR". . p. 2397 - 2403. Retrieved 2003.
• 3、 -. "MODIFIED THIOXANTHONE PHOTOINITIATORS". Paragraph 0150; 0151. . Retrieved 2021/07/24.
• 4、 Bodinier, Florent,Sanogo, Youssouf,Ardisson, Janick,Lannou, Marie-Isabelle,Sorin, Geoffroy. "Low-valent dialkoxytitanium(ii): a useful tool for the synthesis of functionalized seven-membered ring compounds". supporting information. p. 3603 - 3606. Retrieved 2021/04/14.