1,5-Hexadiene-3,4-diol

Basic Information

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CAS Number

1069-23-4

Molecular Formula

C6H10O2

Molecular Weight

114.14 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

14-16 °C

Boiling Point

198°C

Refractive Index

n20/D 1.479(lit.)

SMILES

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C=CC(C(C=C)O)O

InChI

InChI=1S/C6H10O2/c1-3-5(7)6(8)4-2/h3-8H,1-2H2

InChIKey

KUQWZSZYIQGTHT-UHFFFAOYSA-N

LogP

0.08019999999999994

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

76.5

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H302 Harmful if swallowed
Acute toxicity, oral

H311 Toxic in contact with skin
Acute toxicity, dermal

Hazard Class

Class 6.1(b) Class 6.1(b)

Synonyms & References

English

Divinyloxyethane (Divinyl glycol)
1069-23-4
SB18658
EINECS 213-955-5
NSC 60695
Q27295170
NSC-60695
1,4-diol
DTXSID90871822
SCHEMBL150801
A801535
Divinylethylene Glycol
CS-0063395
AI3-14412
Z957Z497HK
MFCD00081129
H0807
WLN: 1U1YQYQ1U1
FT-0606435
D90954
1,5-Hexadiene-3,4-diol, containing 200 ppm MEHQ
1,2-Divinylglycol
Hexa-1,5-diene-3,4-diol
Divinylglykol
NS00041906
1,5-Hexadiene-3,4-diol
UNII-Z957Z497HK
AKOS015902920
1,5-HEXADIENE,3,4-DIHYDROXY-
1,3,4-dihydroxy-
1,5-Hexadiene-3,4-diol (stabilized with HQ)

MDL Number

MFCD00081129

Customs Code

29053980

FAQ

What are the physical and chemical properties of 1,5-Hexadiene-3,4-diol (CAS: 1069-23-4)?

1,5-Hexadiene-3,4-diol is a colorless, crystalline solid with a molecular weight of approximately 134.16 g/mol. It is not highly soluble in water but is more soluble in organic solvents. Chemically, it is relatively stable under normal conditions but can undergo polymerization reactions with strong oxidizing agents. It is miscible with many organic solvents such as ethanol and acetone.

How is 1,5-Hexadiene-3,4-diol (CAS: 1069-23-4) typically synthesized?

1,5-Hexadiene-3,4-diol is typically synthesized via hydrogenation of 1,5-hexanediol, which is achieved using hydrogen gas and a palladium catalyst under pressure. Alternatively, it can be produced by the reduction of 1,5-hexanedione with sodium borohydride. The synthesis usually yields a high purity product with excellent selectivity and good yields.

What industries use 1,5-Hexadiene-3,4-diol (CAS: 1069-23-4)?

1,5-Hexadiene-3,4-diol finds applications in various industries. In pharmaceuticals, it serves as a precursor for the synthesis of certain drugs. In polymer industry, it is used as a monomer to produce polyesters and polyurethanes. It also has applications in the manufacturing of sensors and semiconductors due to its chemical reactivity and structural properties.

What precautions should be taken when handling 1,5-Hexadiene-3,4-diol (CAS: 1069-23-4)?

When handling 1,5-Hexadiene-3,4-diol, it is crucial to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Ensure the work area is well-ventilated and use a fume hood to minimize exposure. Spills should be cleaned up immediately using absorbent materials, and proper disposal methods should be followed. Always refer to the Safety Data Sheet (SDS) for detailed safety and handling instructions.