Bexarotene Impurity 6

Basic Information

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CAS Number

153559-45-6

Molecular Formula

C24H28O3

Molecular Weight

364.49 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

143-146°C

SMILES

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CC1=CC2=C(C=C1C(=O)C3=CC=C(C=C3)C(=O)OC)C(CCC2(C)C)(C)C

InChI

InChI=1S/C24H28O3/c1-15-13-19-20(24(4,5)12-11-23(19,2)3)14-18(15)21(25)16-7-9-17(10-8-16)22(26)27-6/h7-10,13-14H,11-12H2,1-6H3

InChIKey

DYVLPJYIGJZAKF-UHFFFAOYSA-N

LogP

5.361620000000006

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

568

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

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

Synonyms & References

English

Methyl 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl] benzoate
AC-24573
BCP08505
methyl 4-(1,1,4,4,7-pentamethyltetralin-6-carbonyl)benzoate;Desmethylene Oxo-bexarotene Methyl Ester
E75997
4-(3,5,5,8,8-Pentamethyl-5,6,7,8-tetrahydro-naphthalene-2carbonyl)-benzoic acid methyl ester
Benzoic acid,4-[(5,6,7,8-tetrahydro-3,5,5,8,8-
AS-11441
153559-45-6
A809438
MFCD12828199
C24H28O3
DTXSID50471185
SCHEMBL3982018
methyl 4-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalene-2-carbonyl)benzoate
Methyl 4-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-naphthalene-2-carbonyl)benzoate
AMY24855
Methyl 4-(3,5,5,8,8-pentamethyl-5,6,7,8-Tetrahydro naphthalene-2-carbonyl)benzoate
AKOS015896396
Methyl 4-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalene-2-carbonyl)benzoate
CS-0188157
Methyl4-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalene-2-carbonyl)benzoate
FT-0652504
DYVLPJYIGJZAKF-UHFFFAOYSA-N
pentamethyl-2-naphthalenyl)carbonyl]-,methyl
Methyl 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoate
Desmethylene Oxo-bexarotene Methyl Ester
BENZOIC ACID, 4-[(5,6,7,8-TETRAHYDRO-3,5,5,8,8-PENTAMETHYL-2-NAPHTHALENYL)CARBONYL]-, METHYL ESTER
(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphth-2-yl)carbonyl>Methyl 4-[(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl] benzoate
Methyl [4-(5,6,7,8-tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)carbonyl]benzoate
methyl 4-[(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-2-naphthyl)carbonyl]benzoate

MDL Number

MFCD12828199

Customs Code

2918300090

FAQ

What regulatory guidelines apply to Bexarotene Impurity 6 (CAS: 153559-45-6)?

Bexarotene Impurity 6 (CAS: 153559-45-6) is subject to various regulatory guidelines such as GHS classification, which requires hazard communication through labels and safety data sheets. Additionally, it falls under REACH regulations in the EU, which regulate the production and placement of chemical substances on the market. In the USA, FDA and EPA have specific requirements for the handling, storage, and disposal of this impurity to ensure safety and environmental protection.

Are there alternatives to Bexarotene Impurity 6 (CAS: 153559-45-6) in synthesis?

In the synthesis of bexarotene, alternatives to Bexarotene Impurity 6 (CAS: 153559-45-6) may include using higher purity starting materials or employing more selective synthetic routes to minimize the formation of this impurity. Other common alternatives include using different solvent systems or adjusting reaction conditions to reduce the generation of by-products.

What is the market or research trend for Bexarotene Impurity 6 (CAS: 153559-45-6)?

The market and research trends for Bexarotene Impurity 6 (CAS: 153559-45-6) are closely linked to the broader research and development in bexarotene. As research advances, there is a growing focus on developing more selective and efficient synthesis methods to reduce the formation of this impurity. Additionally, there is an increasing emphasis on environmental compliance and safety, driving the need for better management and disposal of this impurity.

How should waste containing Bexarotene Impurity 6 (CAS: 153559-45-6) be handled?

Waste containing Bexarotene Impurity 6 (CAS: 153559-45-6) should be collected in appropriate containers, labeled with the proper hazardous waste label, and stored in a secure area until disposal. This waste should be handled by a professional waste disposal service that can ensure safe and compliant disposal. Environmental protection precautions should include minimizing the release of impurities into the environment and adhering to local, national, and international regulations regarding hazardous waste management.