3-Hexyne-2,5-diol

Base Information Edit

Chemical Name:3-Hexyne-2,5-diol
CAS No.:3031-66-1
Molecular Formula:C6H10O2
Molecular Weight:114.144
Hs Code.:2905399090
European Community (EC) Number:221-209-5
NSC Number:409184
UNII:538TMM2U3G
DSSTox Substance ID:DTXSID3044910
Nikkaji Number:J49.444E
Wikidata:Q21051286
ChEMBL ID:CHEMBL3187998
Mol file:3031-66-1.mol

Synonyms:hex-3-yne-2,5-diol;3-HEXYNE-2,5-DIOL;3031-66-1;3-Hexyn-2,5-diol;Hexyne-3-diol-2,5;3-Hexyne-3,5-diol;EINECS 221-209-5;NSC 409184;BRN 1720667;UNII-538TMM2U3G;538TMM2U3G;DTXSID3044910;3-Hexyne-2,5-diol, dl + meso;NSC-409184;EC 221-209-5;3-01-00-02271 (Beilstein Handbook Reference);Bis(1-hydroxyethyl)acetylene;NSC409184;3-Hexin-2,5-diol;NCIOpen2_003576;SCHEMBL66883;WLN: QY1&1UU1YQ1;LY294002HYDROCHLORIDE;3-Hexyne-2,5-diol, 97%;CHEMBL3187998;DTXCID1024910;Tox21_301736;MFCD00004542;AKOS015841113;NCGC00256234-01;AS-75903;J49.444E;LS-75751;CAS-3031-66-1;CS-0077161;FT-0656189;H0574;EN300-213339;F17144;A820319;Q21051286

Suppliers and Price of 3-Hexyne-2,5-diol

Supply Marketing:Edit

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

TRC
3-Hexyne-2,5-diol
5g
$ 375.00

TRC
3-Hexyne-2,5-diol
250mg
$ 110.00

Oakwood
Hex-3-yne-2,5-diol 97%
1g
$ 10.00

Crysdot
Hex-3-yne-2,5-diol 95+%
100g
$ 120.00

Total 79 raw suppliers

Chemical Property of 3-Hexyne-2,5-diol Edit

Chemical Property:

Appearance/Colour:light yellow liquid
Vapor Pressure:0.0215mmHg at 25°C
Melting Point:42 °C(lit.)
Refractive Index:n20/D 1.473(lit.)
Boiling Point:221.9 °C at 760 mmHg
PKA:12.80±0.20(Predicted)
Flash Point:104 °C
PSA：40.46000
Density:1.07 g/cm³
LogP:-0.24860
Storage Temp.:2-8°C
Solubility.:Chloroform (Slightly), Methanol (Slightly)
XLogP3:-0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:114.068079557
Heavy Atom Count:8
Complexity:105

Purity/Quality:

99% ^*data from raw suppliers

3-Hexyne-2,5-diol ^*data from reagent suppliers

Safty Information:

Pictogram(s): T
Hazard Codes:T
Statements: 25-36
Safety Statements: 26-36/37/39-45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C#CC(C)O)O
Uses 3-Hexyne-2,5-diol is used in the synthesis of hyperbrancehed poly([1,2,3]-triazoles. Also used in the synthesis of pyrazoles and thiopyrazoles.

Technology Process of 3-Hexyne-2,5-diol

There total 9 articles about 3-Hexyne-2,5-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: