4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol

Basic Information

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CAS Number

6898-97-1

Molecular Formula

C18H20O2

Molecular Weight

268.36 g/mol

Chemical Classification

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Melting Point

169.0 to 173.0 deg-C

Boiling Point

407.102 °C at 760 mmHg

Density

1.108

Flash Point

186.946 °C

SMILES

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

InChI

InChI=1S/C18H20O2/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,19-20H,3-4H2,1-2H3

InChIKey

RGLYKWWBQGJZGM-UHFFFAOYSA-N

LogP

4.828600000000005

Topological Polar Surface Area

40.46 Å²

Hydrogen Bond Donor/Acceptor

2 / 2

Complexity

286

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H341 Suspected of causing genetic defects
Germ cell mutagenicity

H350 May cause cancer
Carcinogenicity

H360 May damage fertility or the unborn child
Reproductive toxicity

H371 May cause damage to organs
Specific target organ toxicity, single exposure

H372 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure

H373 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure

H411 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

4-[(E)-4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol
UNII-731DCA35BT
Dietilestilbestrol [INN-Spanish]
Milestrol
NCGC00090749-08
DIETHYLSTILBESTROL [ORANGE BOOK]
BDBM20625
Diastyl
Gynopharm
4,4'-(3E)-hex-3-ene-3,4-diyldiphenol
Diethylstilbestrol [Nonsteroidal oestrogens]
Stilbestrol, diethyl-
Sibol
Serral
Stilbetin
Phenol, 4,4'-((1E)-1,2-diethyl-1,2-ethenediyl)bis-
RGLYKWWBQGJZGM-ISLYRVAYSA-
HMS2232N11
NSC-756736
D0526
Diethylstilbestrol [USP:INN:BAN]
Stil-Rol
cis-Des
BRN 2056095
Destrol
4,4'-Dihydroxy-.alpha.,.beta.-diethylstilbene
MLS002222298
4,4'-Dihydroxy-alpha,beta-diethylstilbene
Synthofolin
Agostilben
NCGC00090749-01

MDL Number

MFCD00002373

Customs Code

2942000000

FAQ

What are the physical and chemical properties of 4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol (CAS: 6898-97-1)?

4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol (CAS: 6898-97-1) is a crystalline compound with a molecular weight of approximately 336.37 g/mol. It has a low solubility in water but is more soluble in organic solvents like ethanol and acetone. This compound is known for its stability but can react with strong oxidizing agents. It is not flammable but may decompose upon prolonged heating.

How is 4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol (CAS: 6898-97-1) typically synthesized?

4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol (CAS: 6898-97-1) is usually synthesized via a multi-step process involving the reaction of 4-hydroxyacetophenone with hex-3-en-3-yl bromide. The synthesis typically requires a catalyst such as triethylamine and is conducted under mild conditions to achieve high selectivity and yield. Detailed procedures can be found in various chemical literature.

What industries use 4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol (CAS: 6898-97-1)?

4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol (CAS: 6898-97-1) finds applications in the pharmaceutical industry, where it is used as a precursor for the synthesis of certain drugs. It is also used in the polymer industry for the development of functional materials, and in the sensor industry for its potential use in biosensors due to its aromatic structure.

What precautions should be taken when handling 4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol (CAS: 6898-97-1)?

When handling 4-[4-(4-hydroxyphenyl)hex-3-en-3-yl]phenol (CAS: 6898-97-1), it is important to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to avoid inhalation of vapors. Spills should be cleaned up carefully, and proper disposal methods should be followed as per local regulations. Always consult the Safety Data Sheet (SDS) for detailed information on handling and emergency procedures.