Cedrol | Solubility of Things

Identification

Molecular formula

C₁₅H₂₆O

CAS number

77-53-2

IUPAC name

(1S,4aR,8aS)-1-isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene

State

It is typically found in a liquid state at room temperature, although it can also solidify due to its relatively high melting point. In commercial and chemical contexts, its liquid state is more commonly noted and utilized.

Melting point (Celsius)

85.00

Melting point (Kelvin)

358.15

Boiling point (Celsius)

263.50

Boiling point (Kelvin)

536.65

General information

Molecular weight

222.37g/mol

Molar mass

222.3660g/mol

Density

0.9305g/cm³

Appearence

The compound appears as a colorless to pale yellow liquid. It has a distinctive woody, sweet odor, making it a common component in perfumes and fragrances that aim to give a woody aroma.

Comment on solubility

Solubility of (1S,4aR,8aS)-1-isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene

The solubility of (1S,4aR,8aS)-1-isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene can be characterized as relatively low in water due to its non-polar structure. It is a bicyclic compound with a hydrophobic nature, which influences its interactions with solvents. Here are some key points regarding its solubility:

Polar Solvents: The compound is not soluble in polar solvents such as water, which tend to dissolve ionic and highly polar compounds.
Non-Polar Solvents: It exhibits good solubility in non-polar solvents (e.g., hexane, toluene), as these solvents can effectively interact with the compound's hydrophobic regions.
Temperature Effects: Solubility can be impacted by temperature; generally, increased temperature may enhance the solubility in non-polar solvents.

In summary, the solubility of (1S,4aR,8aS)-1-isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene is highly reliant on the nature of the solvent employed, with a clear preference for non-polar environments.

Interesting facts

Interesting Facts about (1S,4aR,8aS)-1-isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene

(1S,4aR,8aS)-1-isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene, often simply referred to in the scientific community for its structural complexity, is a fascinating compound with unique properties and applications. This compound belongs to the class of bicyclic compounds, which are characterized by having at least two fused rings in their structure.

Chemical Structure

The stereochemistry of this molecule plays a crucial role in its behavior and reactivity. Some key aspects include:

Stereoisomers: The specific stereochemistry denoted by the (1S,4aR,8aS) notation indicates that the compound has several stereoisomers, which may exhibit different chemical behaviors.
Conformation: Due to its polycyclic structure, it can adopt various conformations, which influence its physical and chemical properties.

Applications and Uses

This compound holds significance in various fields:

Fragrance Industry: Its unique scent profile makes it an attractive ingredient in perfumery, contributing to complex fragrance blends.
Pharmaceutical Research: The intricate structure of this compound may inspire new medicinal compounds, especially in studying how structural changes affect functionality.

Biological Implications

Research has suggested intriguing biological activities associated with compounds in the hexahydronaphthalene series, including:

Potential Antimicrobial Properties: Some studies indicate that related compounds may have antimicrobial activity, making them candidates for antibiotic research.
Hormonal Activity: Certain bicyclic structures are known to mimic hormonal activity, opening avenues for exploring endocrine-related applications.

In summary, (1S,4aR,8aS)-1-isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene is not just a chemical compound but a key piece in understanding complex chemical interactions, with implications spanning various scientific disciplines. As an exciting area of research, compounds like this pave the way for advancements in materials science, pharmaceuticals, and beyond.

Synonyms

BETA-CADINENE

Cadina-3,9-diene

Cadine-3,9-diene

523-47-7

NCI-C56008

.beta.-Cadinene

beta-Cadinene, (-)-

(-)-beta-Cadinene

CCRIS 5894

HSDB 4355

Z07LA0GY4J

NSC 46152

CHEBI:27723

CADINENE, BETA-

NSC-46152

BETA-CADINENE [HSDB]

.BETA.-CADINENE [MI]

DTXSID0024713

(1S,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene

Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S,4aR,8aS)-

Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-(1alpha,4abeta,8aalpha))-

Cadina3,9diene

Cadine3,9diene

betaCadinene, ()

NAPHTHALENE, 1,2,4A,5,8,8A-HEXAHYDRO-4,7-DIMETHYL-1-(1-METHYLETHYL)-, (1S-(1ALPHA,4ABETA,8A.ALPHA)).-

NAPHTHALENE, 1,2,4A,5,8,8A-HEXAHYDRO-4,7-DIMETHYL-1-(1-METHYLETHYL)-, [1S-(1ALPHA,4ABETA,8A.ALPHA]).-

3,9-CADINADIENE

Cadina-3,9-diene (8CI)

DTXCID304713

(1S,4aR,8aS)-4,7-dimethyl-1-(propan-2-yl)-1,2,4a,5,8,8a-hexahydronaphthalene

NAPHTHALENE, 1,2,4A,5,8,8A-HEXAHYDRO-4,7-DIMETHYL-1-(1-METHYLETHYL)-(1S-(1ALPHA,4BETA,8ALPHA))-

Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, (1S-(1alpha,4abeta,8aalpha))-(9CI)

Naphthalene, 1,2,4a,5,8,8ahexahydro4,7dimethyl1(1methylethyl), (1S(1alpha,4abeta,8aalpha))

(-)-.beta.-Cadinene

.beta.-Cadinene, (-)-

NSC46152

b-cadinene

Naphthalene, 1,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1.alpha.,4a.beta.,8a.alpha.)]-

UNII-Z07LA0GY4J

(+)-beta-cadinene

C09625

CHEMBL3120653

USDOQCCMRDNVAH-KKUMJFAQSA-N

LMPR0103330003

NS00094606

Q27103285

Naphthalene,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-

(1S,4aR,8aS)-1-isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene

1-Isopropyl-4,7-dimethyl-1,2,4a,5,8,8a-hexahydronaphthalene-, [1S-(1.alpha.,4a.beta.,8a.alpha.)]-

Naphthalene,2,4a,5,8,8a-hexahydro-4,7-dimethyl-1-(1-methylethyl)-, [1S-(1.alpha.,4a.beta.,8a.alpha.)]-