1,2-Butanediol

Base Information

• Chemical Name: 1,2-Butanediol
• CAS No.: 584-03-2
• Deprecated CAS: 26171-83-5
• Molecular Formula: C4H10 O2
• Molecular Weight: 90.1222
• Hs Code.: 29053995
• European Community (EC) Number: 209-527-2
• ICSC Number: 0395
• NSC Number: 24242
• UN Number: 1993
• UNII: RUN0H01QEU
• DSSTox Substance ID: DTXSID6040375
• Nikkaji Number: J46.396E
• Wikipedia: 1,2-Butanediol
• Wikidata: Q161457
• RXCUI: 1307758
• Mol file: 584-03-2.mol

Synonyms:1,2-BUTANEDIOL;584-03-2;butane-1,2-diol;1,2-Butylene glycol;1,2-Dihydroxybutane;alpha-Butyleneglycol;alpha-Butylene glycol;1,2-Butandiol;26171-83-5;Butanediol, 1,2-;1,2-(Dihydroxy)butane;NSC 24242;DL-1,2-Butanediol;HSDB 1507;.alpha.-Butylene glycol;EINECS 209-527-2;UNII-RUN0H01QEU;RUN0H01QEU;BRN 0969169;AI3-07554;DTXSID6040375;NSC-24242;4-01-00-02507 (Beilstein Handbook Reference);butanol-2-ol;1,2-butanodiol;1,2-butilenglicol;12-Dihydroxybutane;12-Butylene glycol;1,2-Dihidroxibutano;1,2-butylene-glycol;DL-1 2-Butanediol;(+-)-Butane-12-diol;1,2-Butanediol, 98%;(+/-)-1,2-butanediol;(+-)-Butano-1,2-diol;.+/-.-1,2-Butanediol;DTXCID4020375;1,2-BUTANEDIOL [HSDB];1,2-BUTANEDIOL [INCI];CHEBI:52682;1,2-Butanediol, (.+/-.)-;NSC24242;Tox21_303800;MFCD00004570;(+/-)-BUTANE-1,2-DIOL;AKOS009156823;SB44654;SB44658;SB83785;NCGC00356996-01;AS-56547;CAS-584-03-2;LS-45794;1,2-Butanediol, purum, >=98.0% (GC);B0804;FT-0606320;FT-0699911;FT-0770775;FT-0772991;EN300-67111;E78102;Q161457;Z600450538

Chemical Property of 1,2-Butanediol

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.148mmHg at 25°C
• Melting Point: -50 °C
• Refractive Index: n20/D 1.438(lit.)
• Boiling Point: 191-192 °C747 mm Hg(lit.)
• PKA: 14.49±0.20(Predicted)
• Flash Point: 93.3°C
• PSA: 40.46000
• Density: 1.001g/cm³
• LogP: -0.25040
• Water Solubility.: 100-1000g/L at 25℃
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 90.068079557
• Heavy Atom Count: 6
• Complexity: 28.7

Purity/Quality:

99.9% ^*data from raw suppliers

1,2-Butanediol ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Alcohols and Polyols, Other
• Canonical SMILES: CCC(CO)O
• Inhalation Risk: No indication can be given whether a harmful concentration in the air will be reached.
• Effects of Short Term Exposure: The substance is irritating to the eyes. Exposure at high levels could cause lowering of consciousness. If swallowed the substance easily enters the airways and could result in aspiration pneumonitis.
• Uses: 1,2-Butanediol was used in the synthesis of (R)-2-hydroxybutyric acid.

Technology Process of 1,2-Butanediol

There total 134 articles about 1,2-Butanediol 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: 50.0%

cellulose (9004-34-6) → propylene glycol (57-55-6,63625-56-9) + ethylene glycol (107-21-1) + 1,2-dihydroxybutane (584-03-2)

Guidance literature:

With Rh/C; hydrogen; ortho-tungstic acid; copper(II) sulfate; In water; at 245 ℃; for 0.5h; under 45004.5 Torr; Autoclave;

DOI:10.1016/j.apcata.2015.05.038

Reference yield: 43.0%

glycerol (56-81-5,25618-55-7,64333-26-2,8013-25-0) → propylene glycol (57-55-6,63625-56-9) + 2.3-butanediol (513-85-9) + 1,2-dihydroxybutane (584-03-2)

Guidance literature:

With sodium hydroxide; hydrogen; at 202 ℃; under 82745.9 Torr; Product distribution / selectivity;

Reference yield: 40.6%

cellulose (9004-34-6) → propylene glycol (57-55-6,63625-56-9) + 1,2,3,4-butanetetrol (2319-57-5,2418-52-2,6968-16-7,7493-90-5,7541-59-5,10030-58-7,188346-77-2,149-32-6) + ethylene glycol (107-21-1) + 1,2-dihydroxybutane (584-03-2)

Guidance literature:

With ruthenium-carbon composite; hydrogen; In water; at 215 ℃; for 1.5h; under 39003.9 Torr; Reagent/catalyst; Catalytic behavior; Autoclave;

DOI:10.1039/c6ra27524a

upstream raw materials:

ethyloxirane

1-butylene

hydroxymethylvinyl ketone

1,2-dichlorobutane

Downstream raw materials:

1-Hydroxy-2-butanone

C₂H₅(C₆H₅)4C₂H₃O₂P₂PtCl₂

iso-butanol

butan-1-ol

Refernces

• 1、 Balachandran Kirali, Arun Arunima,Marimuthu, Banu,Sreekantan, Sreejith. "Ce promoted Cu/γ-Al2O3 catalysts for the enhanced selectivity of 1,2-propanediol from catalytic hydrogenolysis of glucose". . . Retrieved 2022/03/31.
• 2、 Huang, Huijiang,Kong, Lingxin,Ma, Xinbin,Wang, Hui,Wang, Shengping,Wang, Xiaofei,Xu, Yuxi,Zhao, Yujun. "Promotional effect of indium on Cu/SiO2catalysts for the hydrogenation of dimethyl oxalate to ethylene glycol". . p. 6854 - 6865. Retrieved 2021/10/25.