2,4-Hexadiyne-1,6-diol - CAS 3031-68-3

Catalog:	BB020546
Product Name:	2,4-Hexadiyne-1,6-diol
CAS:	3031-68-3
Synonyms:	1,6-Dihydroxy-2,4-hexadiyne; 2,4-Hexadiynediol; Carbon rainbow 2257; Carbow 2257; Diacetylene glycol; NSC 11686

Technical Data

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Computed Properties

IUPAC Name:	hexa-2,4-diyne-1,6-diol
Molecular Weight:	110.11
Molecular Formula:	C6H6O2
Canonical SMILES:	C(C#CC#CCO)O
InChI:	InChI=1S/C6H6O2/c7-5-3-1-2-4-6-8/h7-8H,5-6H2
InChI Key:	JXMQYKBAZRDVTC-UHFFFAOYSA-N
Boiling Point:	292.1±25.0°C at 760 mmHg
Melting Point:	112°C
Purity:	≥95%
Density:	1.234±0.06 g/cm3
Solubility:	Soluble in Methanol
Appearance:	White to Light Yellow to Light Orange Powder to Crystal
Storage:	Store at 2-8°C
MDL:	MFCD00020619
LogP:	-1.02220

Publication Number	Title	Priority Date
CN-113061391-A	Radiation-cured antifogging coating composition and film and preparation method thereof	20210329
JP-2021048405-A	Board protection	20201130
KR-20210119327-A	Substrate processing method and substrate processing apparatus	20200324
US-2021299712-A1	Substrate processing method and substrate processing apparatus	20200324
WO-2021116311-A1	Method for preparing cultures of lactic acid bacteria	20191210

PMID	Publication Date	Title	Journal
22221520	20120105	Fabrication of a new type of organic-inorganic hybrid superlattice films combined with titanium oxide and polydiacetylene	Nanoscale research letters
17508830	20070514	Ultraviolet photoelectron spectroscopy study of the thermochromic phase transition in urethane-substituted polydiacetylenes	The Journal of chemical physics
15252576	20040607	Reactions of 2,4-hexadiyne-1,6-diol with [H2Os3(CO)9(PR3)] clusters. Cyclization of the diyne and reversible exchange of the phosphine ligands between different positions of the 'Os3C3' framework	Dalton transactions (Cambridge, England : 2003)

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GHS Hazard Statement:	H228 (100%): Flammable solid [Danger Flammable solids]
Precautionary Statement:	P210, P240, P241, P280, and P370+P378
Signal Word:	Warning

Complexity:	146
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	110.036779430
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	110.036779430
Rotatable Bond Count:	1
Topological Polar Surface Area:	40.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.7