1,4-Benzenedimethanol

Base Information

• Chemical Name: 1,4-Benzenedimethanol
• CAS No.: 589-29-7
• Molecular Formula: C8H10O2
• Molecular Weight: 138.166
• Hs Code.: 29062900
• European Community (EC) Number: 209-641-2
• NSC Number: 5097
• UNII: 4919Q1C910
• DSSTox Substance ID: DTXSID1060427
• Nikkaji Number: J101.259B
• Wikidata: Q27259200
• ChEMBL ID: CHEMBL4536209
• Mol file: 589-29-7.mol

Synonyms:1,4-BENZENEDIMETHANOL;589-29-7;p-Xylylene glycol;[4-(hydroxymethyl)phenyl]methanol;Terephthalyl alcohol;p-Xylene glycol;1,4-phenylenedimethanol;1,4-Xylylene glycol;p-Benzenedimethanol;p-Xylyl alcohol;1,4-Dimethylolbenzene;1,4-Bis(hydroxymethyl)benzene;p-Xylene-alpha,alpha'-diol;p-Xylylenediol;p-(Hydroxymethyl)benzyl alcohol;p-Bis(hydroxymethyl)benzene;p-Xylylene dialcohol;p-Phenylenedimethanol;p-Xylene-.alpha.,.alpha.'-diol;MFCD00004665;4-(hydroxymethyl)benzyl alcohol;alpha,alpha'-Dihydroxy-p-xylene;NSC 5097;1,4-DI(HYDROXYMETHYL)BENZENE;alpha,alpha'-p-Xylenediol;p-Xylylene-alpha,alpha'-diol;.alpha.,.alpha.'-p-Xylenediol;1,4-Di(hydroxymethyl)benzene-d4;UNII-4919Q1C910;p-Xylylene-.alpha.,.alpha.'-diol;NSC-5097;EINECS 209-641-2;.alpha.,.alpha.'-Dihydroxy-p-xylene;AI3-25222;4919Q1C910;p-Phenylene dicarbinol;P-XYLENE-A,A'-DIOL;1,4-PHENYLENEDICARBINOL;BENZENE-1,4-DIMETHANOL;1,4-benzene dimethanol;1,4-phenylene-dimethanol;SCHEMBL41775;1,4-Benzenedimethanol, 99%;CHEMBL4536209;DTXSID1060427;4-(hydroxymethyl)-benzyl alcohol;NSC5097;AMY19474;CK2445;AKOS009159500;CS-W016500;1,4-Benzenedimethanol p-Xylylene glycol;AC-12623;AS-14363;SY036781;D0605;FT-0606768;EN300-55336;A832078;W-105354;Q27259200;F8880-4846;1,4-benzenedimethanol;p-phenylenedimethanol;p-xylene-alpha,alpha'-diol;p-xylylene glycol;25214-80-6

Chemical Property of 1,4-Benzenedimethanol

Chemical Property:

• Appearance/Colour: White needle crystal
• Vapor Pressure: 0.000282mmHg at 25°C
• Melting Point: 114-118 °C(lit.)
• Refractive Index: 1.5090 (estimate)
• Boiling Point: 328.9 °C at 760 mmHg
• PKA: 14.02±0.10(Predicted)
• Flash Point: 151.3 °C
• PSA: 40.46000
• Density: 1.18 g/cm³
• LogP: 0.67120
• Storage Temp.: Store below +30°C.
• Solubility.: DMSO (Slightly), Methanol (Slightly)
• Water Solubility.: Soluble in ether, toluene, methanol and hot water.
• XLogP3: 0.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 138.068079557
• Heavy Atom Count: 10
• Complexity: 73.3

Purity/Quality:

99% ^*data from raw suppliers

1,4-Di(hydroxymethyl)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/22
• Safety Statements: 22-24/25-9-7-23

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1CO)CO
• Uses: Polyester resins 1,4-Benzenedimethanol is used as an organic synthesis intermediate. It is also used for preparation of soluble polyphenylene and p-tolyl-methanol.

Technology Process of 1,4-Benzenedimethanol

There total 59 articles about 1,4-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: 99.0%

terephthalaldehyde, (623-27-8) → p-xylylene glycol (589-29-7)

Guidance literature:

With C₄₈H₄₃ClN₂P₂Ru; ammonium formate; In water; toluene; at 90 ℃; for 10h; Catalytic behavior; Schlenk technique;

Reference yield: 99.0%

1,4-benzenedicarboxylic acid dimethyl ester (120-61-6) → p-xylylene glycol (589-29-7)

Guidance literature:

With hydrogen; sodium ethanolate; In 1,4-dioxane; at 80 ℃; for 16h; under 38002.6 Torr;

DOI:10.1039/c5cc04242a

Reference yield: 99.0%

methyl 4-formylbenzoate (1571-08-0) → p-xylylene glycol (589-29-7)

Guidance literature:

With [Ru(2-(methylthio)-N-[(pyridin-2-yl)methyl]ethan-1-amine)(triphenylphosphine)Cl₂]; potassium tert-butylate; hydrogen; In toluene; at 80 ℃; for 3h; under 30003 Torr;

DOI:10.1002/adsc.201701607

upstream raw materials:

1,4-bis(bromomethyl)benzene

1,4-benzenedicarboxylic acid dimethyl ester

1.4-dibromobenzene

terephthalaldehyde,

Downstream raw materials:

4-methyloxymethylhydroxymethylhydroxymethylcyclohexane

1,4-dimethoxymethyl benzene

[4-(2-Trimethylsilanyl-ethoxymethoxymethyl)-phenyl]-methanol

MSX-213

Refernces

• 1、 Oi, Ryu,San-Nohe, Kunio,Takenaka, Shinji. "Study on Electroreduction Mechanism of Aromatic Dicarboxylic Acids. Electrosynthesis of 1,4-Benzenedimethanol". . p. 3773 - 3775. Retrieved 1988.
• 2、 Borioni, José L.,Cavallaro, Valeria,Murray, Ana P.,Pe?é?ory, Alicia B.,Puiatti, Marcelo,García, Manuela E.. "Design, synthesis and evaluation of cholinesterase hybrid inhibitors using a natural steroidal alkaloid as precursor". . . Retrieved 2021/04/22.
• 3、 Cavallo, Marzia,Arnodo, Davide,Mannu, Alberto,Blangetti, Marco,Prandi, Cristina,Baratta, Walter,Baldino, Salvatore. "Deep eutectic solvents as H2-sources for Ru(II)-catalyzed transfer hydrogenation of carbonyl compounds under mild conditions". supporting information. . Retrieved 2021/02/22.