4,4'-(4-Methyl-2,2-pentanediyl)diphenol

Basic Information

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CAS Number

6807-17-6

Molecular Formula

C18H22O2

Molecular Weight

270.37 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

153.0 to 157.0 deg-C

Density

1.083±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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

InChI

InChI=1S/C18H22O2/c1-13(2)12-18(3,14-4-8-16(19)9-5-14)15-6-10-17(20)11-7-15/h4-11,13,19-20H,12H2,1-3H3

InChIKey

VHLLJTHDWPAQEM-UHFFFAOYSA-N

LogP

4.449900000000005

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

262

Safety Information

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Hazard Statement

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H360 May damage fertility or the unborn child
Reproductive toxicity

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Hazard Class

Class 9 Class 9

Synonyms & References

English

MFCD00020176
CS-0154249
NSC 73727
J878.905C
VHLLJTHDWPAQEM-UHFFFAOYSA-
EC 401-720-1
Tox21_303608
NCGC00259677-01
2,2-(4-HYDROXYPHENYL)-4-METHYLPENTANE
NSC-73727
BP_18
J1B7N5N4M7
CHEMBL3181983
SY053186
AKOS015841705
4,4'-(1,3-Dimethylbutylidene)diphenol, >/=98%
FT-0698816
InChI=1/C18H22O2/c1-13(2)12-18(3,14-4-8-16(19)9-5-14)15-6-10-17(20)11-7-15/h4-11,13,19-20H,12H2,1-3H3
DTXCID509282
4,4'-(1,3-Dimethylbutylidene)diphenol
CAS-6807-17-6
NS00008018
SCHEMBL52004
2,2-Bis(4-hydroxyphenyl)-4-methylpentane
UNII-J1B7N5N4M7
2,2-bis(4-hydroxy-phenyl)-4-methyl-pentane
D3267
AI3-50870
4,4-(1,3-dimethylbutylidene)diphenol
2,2-bis(4'-hydroxyphenyl)-4-methylpentane
4-[2-(4-hydroxyphenyl)-4-methylpentan-2-yl]phenol

MDL Number

MFCD00027300

Customs Code

2907299090

FAQ

What are the physical and chemical properties of 4,4'-(4-Methyl-2,2-pentanediyl)diphenol (CAS: 6807-17-6)?

4,4'-(4-Methyl-2,2-pentanediyl)diphenol is a white crystalline solid with a molecular weight of approximately 234.35 g/mol. It has a limited solubility in water but is more soluble in organic solvents such as ethanol and acetone. This compound is relatively stable under normal conditions but can react with strong acids or bases. It is commonly used in the synthesis of other chemicals and materials.

How is 4,4'-(4-Methyl-2,2-pentanediyl)diphenol (CAS: 6807-17-6) typically synthesized?

4,4'-(4-Methyl-2,2-pentanediyl)diphenol is typically synthesized via the condensation of 4,4'-dihydroxydiphenol with 4-methyl-2,2-pentanediol. The reaction is catalyzed by a strong acid and proceeds with good yield and selectivity. The process is carried out under mild conditions to avoid degradation of the product.

What industries use 4,4'-(4-Methyl-2,2-pentanediyl)diphenol (CAS: 6807-17-6)?

4,4'-(4-Methyl-2,2-pentanediyl)diphenol is used in various industries, including pharmaceuticals, where it serves as a precursor for the synthesis of certain drugs, and in the polymer industry as a monomer for the production of resins and coatings. It is also utilized in the manufacturing of sensors and semiconductors due to its chemical stability and reactivity.

What precautions should be taken when handling 4,4'-(4-Methyl-2,2-pentanediyl)diphenol (CAS: 6807-17-6)?

When handling 4,4'-(4-Methyl-2,2-pentanediyl)diphenol, proper personal protective equipment (PPE) such as gloves, goggles, and a lab coat should be worn. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. Use a fume hood during handling to minimize inhalation risks. In case of spills, use appropriate containment and disposal methods as outlined in the Safety Data Sheet (SDS).