Bexarotene Impurity 20

Basic Information

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CAS Number

6683-48-3

Molecular Formula

C15H22

Molecular Weight

202.34 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

Boiling Point

267.4±20.0°C at 760 mmHg

Density

0.882

Flash Point

112.5 oC

Refractive Index

1.491

SMILES

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CC1=CC2=C(C=C1)C(CCC2(C)C)(C)C

InChI

InChI=1S/C15H22/c1-11-6-7-12-13(10-11)15(4,5)9-8-14(12,2)3/h6-7,10H,8-9H2,1-5H3

InChIKey

AISXBZVAYNUAKB-UHFFFAOYSA-N

LogP

4.344020000000004

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

236

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H312 Harmful in contact with skin
Acute toxicity, dermal

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H332 Harmful if inhaled
Acute toxicity, inhalation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class IRRITANT Class IRRITANT

Synonyms & References

English

PS-8183
6683-48-3
MFCD00833394
BB 0259711
AKOS005167031
2-methyl-5,6,7,8-tetrahydro-5,5,8,8-tetramethyl naphthalene
FT-0606016
Naphthalene, 1,2,3,4-tetrahydro-1,1,4,4,6-pentamethyl-
AISXBZVAYNUAKB-UHFFFAOYSA-N
1,2,3,4-Tetrahydro-1,1,4,4,6-pentamethylnaphthalene
AC-1496
BCP08781
5,6,7,8-tetrahydro-2,5,5,8,8-pentamethylnaphthalene
EINECS 229-724-7
5,6,7,8-tetrahydro-3,5,5,8,8-pentamethylnaphthalene
1,1,4,4,6-Pentamethyl-1,2,3,4-tetrahydronaphthalene, tech
CS-B0383
DTXSID50216952
EN300-73791
1,2,3,4-Tetrahydro-1,1,4,4,6-pentamethyl-naphthalene
1,1,4,4,6-pentamethyl-2,3-dihydronaphthalene
1,1,4,4,7-Pentamethyl-1,2,3,4-tetrahydronaphthalene
1,1,4,4,6-pentamethyl-1,2,3,4-tetrahydronaphthalene
C15H22
AMY16073
NS00036072
1,1,4,4,6-pentamethyl-1,2,3,4-tetrahydronaphtalene
5,6,7,8-tetrahydro-5,5,8,8-tetramethyl-2-methylnaphthalene
A8989
KT2SN6375F
SY037896

MDL Number

MFCD00833394

Customs Code

2902909090

FAQ

What are the physical and chemical properties of Bexarotene Impurity 20 (CAS: 6683-48-3)?

Bexarotene Impurity 20 (CAS: 6683-48-3) is a crystalline compound with a molecular weight of approximately 354.41 g/mol. It has a high solubility in organic solvents like methanol and ethanol. Chemically, it is less reactive compared to bexarotene but can undergo typical organic transformations under controlled conditions. This impurity is primarily used in pharmaceutical applications and its physicochemical properties are crucial for its identification and purification during drug development.

How is Bexarotene Impurity 20 (CAS: 6683-48-3) typically synthesized?

Bexarotene Impurity 20 (CAS: 6683-48-3) can be synthesized through a multistep process involving alkylation and hydroxylation reactions. The synthesis typically uses benzyl chloride as the alkylating agent and sodium hydroxide for hydroxylation. The process yields a high purity impurity which is essential for quality control and impurity profiling in pharmaceuticals. Careful control of reaction conditions is necessary to achieve high selectivity and yield.

What industries use Bexarotene Impurity 20 (CAS: 6683-48-3)?

Bexarotene Impurity 20 (CAS: 6683-48-3) is primarily used in the pharmaceutical industry, particularly in the development and quality control of bexarotene-based medications. It is also of interest in research and development for its potential use in other therapeutic areas. This impurity plays a crucial role in ensuring the safety and efficacy of bexarotene products.

What precautions should be taken when handling Bexarotene Impurity 20 (CAS: 6683-48-3)?

When handling Bexarotene Impurity 20 (CAS: 6683-48-3), users should wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area, preferably within a fume hood. Spills should be handled immediately using the appropriate absorbent material, and the area should be cleaned thoroughly. Refer to the safety data sheet (SDS) for detailed information on handling and storage. Proper disposal methods should be followed to ensure environmental safety and compliance with regulatory standards.