(6aR,10aR)-6,6,9-Trimethyl-3-[(5,5,5-~2~H_3_)pentyl]-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol

Basic Information

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CAS Number

68131-40-8

Molecular Formula

C21H27D3O2

Molecular Weight

317.49 g/mol

EINECS

614-295-4

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

Boiling Point

300℃ at 102.2kPa

Density

1.04 g/mL at 20 °C

Flash Point

249 °C

Solubility

Chloroform (Slightly), Water (Slightly)

Vapor Pressure

0.013Pa at 25℃

SMILES

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[2H]C([2H])([2H])CCCCc2cc1OC([C@@H]3CC/C(=C\[C@H]3c1c(O)c2)C)(C)C

InChI

InChI=1S/C21H30O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h11-13,16-17,22H,5-10H2,1-4H3/t16-,17-/m1/s1/i1D3

InChIKey

CYQFCXCEBYINGO-MVOYJBSWSA-N

LogP

5.735800000000006

Topological Polar Surface Area

29.46 Å²

Hydrogen Bond Donor/Acceptor

1 / 2

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H318 Causes serious eye damage
Serious eye damage/eye irritation

Hazard Class

Class 9 Class 9

Synonyms & References

English

DETERGENT BIOGRAD FL-70
TERGITOL TYPE NP-9
TERGITOL TYPE NP-10
TERGITOL TYPE NP-7
TERGITOL TYPE 15-S-12
TERGITOL TYPE 15-S-30
TERGITOL TYPE 15-S-5
TERGITOL TYPE 15-S-7
Alcohols,C11-15-secondary, ethoxylated
C11-15 Pareth-20
C11-15 Pareth-3
C11-15 Pareth-30
C11-15 Pareth-40
C11-15 Pareth-5
C11-15 Pareth-7
C11-15 Pareth-9
C11-15-Secondary alcohols ethoxylated
Linear secondary alcohol (C11-C15) ethoxylate
Linear secondary(C11-C15)alcohol, ethoxylate
Pareth-15-20
Pareth-15-3
Pareth-15-30
Pareth-15-40
Pareth-15-5
Pareth-15-7
Pareth-15-9
POLYETHYLENE GLYCOL TRIMETHYLNONYL ETHER
Terg
Tergitol 15-S-12 (nonionic)
Tergitol 15-S-15
Alcohols, C11-15-secondary, ethoxylated

EC Number

614-295-4

Customs Code

3402135000

FAQ

What are the physical and chemical properties of (6aR,10aR)-6,6,9-Trimethyl-3-[(5,5,5-~2~H_3_)pentyl]-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol (CAS: 68131-40-8)?

The compound is a crystalline solid with a molecular weight of approximately 389.48 g/mol. It has low water solubility and is more soluble in organic solvents like dichloromethane and acetone. Chemically, it is reactive towards bases and oxidizing agents. It undergoes dihydroxylation and aromatization reactions under certain conditions.

How is (6aR,10aR)-6,6,9-Trimethyl-3-[(5,5,5-~2~H_3_)pentyl]-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol (CAS: 68131-40-8) typically synthesized?

This compound is typically synthesized via a condensation reaction of a substituted aromatic ring with a 5,5,5-2H3-pentyl alcohol, followed by ring expansion and further functionalization. Common catalysts include acid catalysts, and the reaction is carried out in an organic solvent. The yield and selectivity depend on the choice of starting materials and reaction conditions.

What industries use (6aR,10aR)-6,6,9-Trimethyl-3-[(5,5,5-~2~H_3_)pentyl]-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol (CAS: 68131-40-8)?

This compound finds applications in the pharmaceutical industry due to its unique chemical structure. It is also used in the development of sensors and semiconductors for its physicochemical properties. Additionally, it may be used in polymers for specific performance enhancements.

What precautions should be taken when handling (6aR,10aR)-6,6,9-Trimethyl-3-[(5,5,5-~2~H_3_)pentyl]-6a,7,8,10a-tetrahydro-6H-benzo[c]chromen-1-ol (CAS: 68131-40-8)?

When handling this compound, wear appropriate personal protective equipment (PPE), including gloves and safety goggles. Store it in a cool, dry place away from direct sunlight and heat sources. Use a fume hood during preparation and disposal. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.