4,4'-(2,2-Butanediyl)diphenol

Basic Information

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CAS Number

77-40-7

Molecular Formula

C16H18O2

Molecular Weight

242.31 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

125.0 to 128.0 deg-C

Boiling Point

345.14°C (rough estimate)

Density

1.0537 (rough estimate)

Flash Point

195.5 °C

Refractive Index

1.6000 (estimate)

SMILES

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CCC(C)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O

InChI

InChI=1S/C16H18O2/c1-3-16(2,12-4-8-14(17)9-5-12)13-6-10-15(18)11-7-13/h4-11,17-18H,3H2,1-2H3

InChIKey

HTVITOHKHWFJKO-UHFFFAOYSA-N

LogP

log Kow = 4.13 (est)

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

226

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H317 May cause an allergic skin reaction
Sensitization, Skin

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

p,p'-Dihydroxy-2,2-diphenylbutane
NCGC00164226-03
4,4'-(1-Methylpropylidene)bisphenol
CHEBI:34581
Butane, 2,2-bis(4-hydroxyphenyl)-
Tox21_202222
DTXSID4022442
CS-W014651
LS-104937
HSDB 8086
Q2904720
NCGC00259771-01
1RC731TJJA
4,4'-(1-methylpropyliden)bisphenol
AS-13480
AI3-17395
4,4'-butane-2,2-diyldiphenol
NCGC00164226-01
BISPHENOL B [MI]
Tox21_300198
Butane, 2,2-bis(p-hydroxyphenyl)-
D83792
EINECS 201-025-1
2,2-bis-(4-hydroxyphenyl)butane
FT-0609176
BPB (Bisphenol B)
2,2-Bis(4-hydroxyphenyl)butane
2,2-Bis(p-hydroxyphenyl)butane
4,4'-(Butane-2,2-diyl)diphenol
B1050
H3W

MDL Number

MFCD00020179

Customs Code

29242995

FAQ

What are the physical and chemical properties of 4,4'-(2,2-Butanediyl)diphenol (CAS: 77-40-7)?

4,4'-(2,2-Butanediyl)diphenol is a crystalline white powder with a molecular weight of approximately 228.23 g/mol. It has a low solubility in water but good solubility in organic solvents such as methanol and acetone. Chemically, it is reactive towards acids and bases, making it suitable for a variety of applications in industry and research.

How is 4,4'-(2,2-Butanediyl)diphenol (CAS: 77-40-7) typically synthesized?

4,4'-(2,2-Butanediyl)diphenol is typically synthesized via a coupling reaction between phenol and 1,4-butanediol using a strong base such as potassium hydroxide. The reaction is carried out in aprotic solvents like tetrahydrofuran (THF) and requires careful temperature control to achieve high yields and selectivity.

What industries use 4,4'-(2,2-Butanediyl)diphenol (CAS: 77-40-7)?

4,4'-(2,2-Butanediyl)diphenol finds applications in the pharmaceutical, polymer, and sensor industries. It is used as a precursor in the synthesis of various drugs and as a monomer in the production of polyesters and polyurethanes. Additionally, it is utilized in the development of sensors due to its reactivity and stability properties.

What precautions should be taken when handling 4,4'-(2,2-Butanediyl)diphenol (CAS: 77-40-7)?

When handling 4,4'-(2,2-Butanediyl)diphenol, it is crucial to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The substance should be used in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up using appropriate absorbent materials, and proper disposal should be followed as per local regulations. Safety data sheets (SDS) should always be consulted for detailed safety information.