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2,4-Hexadiyne-1,6-diol

2,4-Hexadiyne-1,6-diol structure

CAS No:
3031-68-3
Formula:
C6H6O2
Chemical Name:
2,4-Hexadiyne-1,6-diol
Synonyms:
2,4-Hexadiyne-1,6-diol;2,4-Hexadiynediol;Diacetylene glycol;1,6-Dihydroxy-2,4-hexadiyne;NSC 11686;Carbow 2257;Carbon rainbow 2257
Categories:
Chemical Reagents > Deuterated Reagents

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2,4-Hexadiyne-1,6-diol Basic Attributes

Molecular Weight：

110.111

Exact Mass：

110.11

EC Number：

221-210-0

UNII：

37EGG3KXZ3

NSC Number：

11686

DSSTox ID：

DTXSID50184400

HScode：

2905399090

Characteristics

PSA：

40.46000

XLogP3：

0.65

Density：

1.2±0.1 g/cm3

Melting Point：

112 °C

Boiling Point：

292.1±25.0 °C at 760 mmHg

Flash Point：

151.0±17.8 °C

Refractive Index：

1.562

Storage Conditions：

2-8ºC

Safety Information

Transport codes：

UN 1325 4.1/PG 2

wgk germany：

hazard class code：

R11

safety instructions：

S16-S22-S24/25

Marks：

Precautionary statement(s)：

P210, P240, P241, P280, P37, P378

Hazard Statements：

H228

GHS Classification：

|Warning|H228 (100%): Flammable solid [Danger Flammable solids]|P210, P240, P241, P280, and P370+P378|Aggregated GHS information provided by 43 companies from 2 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:110.11
XLogP3:-0.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:110.036779430
Monoisotopic Mass:110.036779430
Topological Polar Surface Area:40.5
Heavy Atom Count:8
Complexity:146
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes