2,3,5,6,8,9,11,12,14,15-Decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine

Basic Information

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CAS Number

14098-24-9

Molecular Formula

C16H24O6

Molecular Weight

312.36 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Basic Physical Properties

Physical State

Powder

Melting Point

43.0 to 50.0 deg-C

Boiling Point

451.8°C at 760 mmHg

Refractive Index

1.4795 (estimate)

SMILES

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C1COCCOCCOC2=CC=CC=C2OCCOCCO1

InChI

InChI=1S/C16H24O6/c1-2-4-16-15(3-1)21-13-11-19-9-7-17-5-6-18-8-10-20-12-14-22-16/h1-4H,5-14H2

InChIKey

DSFHXKRFDFROER-UHFFFAOYSA-N

LogP

1.5241999999999998

Topological Polar Surface Area

55.38000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

237

Safety Information

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Hazard Statement

H303 May be harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

Hazard Class

Class IRRITANT Class IRRITANT

Sensitiveness

Hygroscopic

Synonyms & References

English

MFCD00062741
Monobenzo-18-crown-6
YSZC823
J-007438
CHEMBL493574
B18C6-benzo crown ether
1,4,7,10,13,16-Benzohexaoxacyclooctadecin, 2,3,5,6,8,9,11,12,14,15-decahydro-
2,5,8,11,14,17-hexaoxabicyclo[16.4.0]docosa-1(22),18,20-triene
Benzo-18-crown-6
NS00024574
2,3,5,6,8,9,11,12,14,15-Decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine #
A807712
DTXSID50878074
AS-73449
B1539
2,3-Benzo-18-crown-6
AKOS015889751
Benzo-18-crown 6-Ether
SCHEMBL687476
2,3,5,6,8,9,11,12,14,15-Decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine
2,3-Benzo-1,4,7,10,13,16-hexaoxaoctadec-2-ene
CS-0155887
Benzo-18-crown-6, 98%
FT-0622698
14098-24-9
AM20020476
2,3,5,6,8,9,11,12,14,15-Decahydrobenzo[b][1,4,7,10,13,16]hexaoxacyclooctadecine
SY011463
1,2-Ethylenebis(oxyethyleneoxyethyleneoxy)benzene
1,4,7,10,13,16-HEXAHYDROXY-16-ORTHOCYCLOPHANE
2,3,5,6,8,9,11,12,14,15-decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecin

MDL Number

MFCD00062741

Customs Code

2932999099

FAQ

What is 2,3,5,6,8,9,11,12,14,15-Decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine (CAS: 14098-24-9)?

2,3,5,6,8,9,11,12,14,15-Decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine, also known as psoralen, is a chemical compound with a CAS number of 14098-24-9. It is an unsaturated, lipophilic compound with a molecular weight of approximately 360.43. Psoralen has a unique structure that includes a benzene ring, a six-membered ring, and multiple oxygen atoms, making it an important compound in various applications such as medical and industrial uses.

What are the main uses of 2,3,5,6,8,9,11,12,14,15-Decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine (CAS: 14098-24-9)?

Psoralen (CAS: 14098-24-9) has multiple applications. It is utilized in pharmaceuticals for the treatment of certain skin disorders, such as psoriasis and vitiligo. In industrial applications, it serves as a photosensitizer, which is crucial in the production of certain materials and textiles. Additionally, it is used in the research of DNA repair mechanisms and in the treatment of fungal infections.

Is 2,3,5,6,8,9,11,12,14,15-Decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine (CAS: 14098-24-9) safe?

Psoralen (CAS: 14098-24-9) is generally considered safe when used under professional guidance. However, it is essential to follow safety guidelines to avoid harmful effects. Exposure to ultraviolet light after administration can lead to photosensitivity, causing severe skin damage. Therefore, strict precautions must be taken, including the use of protective clothing and avoiding direct sunlight. Ingestion should also be avoided, and the compound should be handled with care to prevent accidental ingestion or contact with mucous membranes.

How should 2,3,5,6,8,9,11,12,14,15-Decahydro-1,4,7,10,13,16-benzohexaoxacyclooctadecine (CAS: 14098-24-9) be stored?

Psoralen (CAS: 14098-24-9) should be stored in a cool, dry place away from direct sunlight and heat sources. It must be kept in a tightly sealed container to prevent degradation. The optimal storage conditions include a temperature range of 2-8°C (35-46°F) and a relative humidity below 60%. It is also crucial to ensure the container is made of an appropriate material that does not react with the compound, such as glass or certain types of plastic.