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52490

Sigma-Aldrich

2,4-Hexadiyne-1,6-diol

≥98.0% (GC)

Synonym(s):

1,6-Dihydroxy-2,4-hexadiyne, 2,4-Hexadiynediol, Diacetylene glycol

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About This Item

Linear Formula:
HOCH2C≡CC≡CCH2OH
CAS Number:
3031-68-3
Molecular Weight:
110.11
Beilstein:
773791
EC Number:
221-210-0
MDL number:
MFCD00020619
UNSPSC Code:
12352100
PubChem Substance ID:
57651375
NACRES:
NA.22

Quality Level

100

Assay

≥98.0% (GC)

mp

113-114 °C (lit.)

functional group

hydroxyl

storage temp.

2-8°C

SMILES string

OCC#CC#CCO

InChI

1S/C6H6O2/c7-5-3-1-2-4-6-8/h7-8H,5-6H2

InChI key

JXMQYKBAZRDVTC-UHFFFAOYSA-N

Related Categories

General description

2,4-Hexadiyne-1,6-diol can be prepared from propargyl alcohol. 2,4-Hexadiyne-1,6-diol readily undergoes polymerization when heated under vacuum or inert gas atmosphere.

Application

2,4-Hexadiyne-1,6-diol may be used as a starting material in the synthesis of thiarubrine A (an antibiotic). It may also be used to synthesize disodium salt of 2,4-hexadiyne 1,6-disulfate (HDDS).

Pictograms

Flame
GHS02

Signal Word

Danger

Hazard Statements

H228

Precautionary Statements

P210

Hazard Classifications

Flam. Sol. 1

Storage Class Code

4.1B - Flammable solid hazardous materials

WGK

WGK 3

Flash Point(F)

Not applicable

Flash Point(C)

Not applicable

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

JAN Code

52490-VAR:
52490-BULK:
52490-1G:
52490-5G:

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Certificates of Analysis (COA)

Lot/Batch Number
MKCQ9474
MKCQ1311
MKCP9477
MKCP9478
MKCM9690

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Notes-use of amines in the glaser coupling reaction.
Cameron M and Bennett G.
The Journal of Organic Chemistry, 22(5), 557-558 (1957)
Self-assembled alternating multilayers built-up from diacetylene bolaamphiphiles and poly (allylamine hydrochloride): polymerization properties, structure, and morphology.
Saremi F, et al.
Langmuir, 11(4), 1068-1071 (1995)
Solid-state thermal polymerization of 2, 4-hexadiyne-1, 6-diol.
Bloor D and Stevens GC.
Journal of Polymer Science. Part B, Polymer Physics, 15(4), 703-714 (1977)
Chemistry of 1, 2-dithiins. Synthesis of the potent antibiotic thiarubrine A.
Koreeda M and Yang W.
Journal of the American Chemical Society, 116(23), 10793-10794 (1994)
The low-temperature polarized optical absorption of a crystalline diacetylene: 2, 4-hexadiyne-1, 6-diol.
Kawaoka, K.
Chemical Physics Letters, 37(3), 561-565 (1976)

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