(5S,6E)-5-Isopropyl-8-methyl-6,8-nonadien-2-one

Basic Information

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CAS Number

1937-54-8

Molecular Formula

C13H22O

Molecular Weight

194.32 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Boiling Point

bp1 60°

Refractive Index

nD20 1.4755

Specific Rotation

D23 +13.6° (neat)

SMILES

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CC(C)C(CCC(=O)C)C=CC(=C)C

InChI

InChI=1S/C13H22O/c1-10(2)6-8-13(11(3)4)9-7-12(5)14/h6,8,11,13H,1,7,9H2,2-5H3/b8-6+/t13-/m0/s1

InChIKey

PQDRXUSSKFWCFA-CFNZNRNTSA-N

LogP

3.760100000000003

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

223

Synonyms & References

English

PQDRXUSSKFWCFA-CFNZNRNTSA-N
L-(+)-2-methyl-5-isopropyl-1,3-nonadien-8-one
SCHEMBL322675
233MY0C8V7
UNII-233MY0C8V7
Q10861391
6,8-Nonadien-2-one, 8-methyl-5-(1-methylethyl)-, (5S,6E)-
6,8-Nonadien-2-one, 8-methyl-5-(1-methylethyl)-, (S-(E))-
SOLANONE [MI]
Solanone
(5S,6E)-8-methyl-5-propan-2-ylnona-6,8-dien-2-one
(5S,6E)-8-Methyl-5-(1-methylethyl)-6,8-nonadien-2-one
NS00124456
DTXSID201025643
(5S,6E)-8-methyl-5-(propan-2-yl)nona-6,8-dien-2-one
(S,E)-5-Isopropyl-8-methylnona-6,8-dien-2-one
1937-54-8
(5S,6E)-8-Methyl-5-(1-Methylethyl)-6,8-Nonadien-2-One
(5S,6E)-5-Isopropyl-8-Methyl-Nona-6,8-Dien-2-One
(5S,6E)-5-Isopropyl-8-Methylnona-6,8-Dien-2-One
(5S,6E)-8-Methyl-5-Propan-2-Yl-Nona-6,8-Dien-2-One
6,8-Nonadien-2-one,8-methyl-5-(1-methylethyl)-, (5S,6E)-
(5S,6E)-8-methyl-5-(1-methylethyl)nona-6,8-dien-2-one

FAQ

What are the physical and chemical properties of (5S,6E)-5-Isopropyl-8-methyl-6,8-nonadien-2-one (CAS: 1937-54-8)?

(5S,6E)-5-Isopropyl-8-methyl-6,8-nonadien-2-one is a colorless liquid with a molecular weight of approximately 158.25 g/mol. It has a low solubility in water but is soluble in organic solvents such as ethanol and acetone. The compound is known for its reactivity, particularly towards nucleophiles and electrophiles, and exhibits a high degree of stability under normal conditions.

How is (5S,6E)-5-Isopropyl-8-methyl-6,8-nonadien-2-one (CAS: 1937-54-8) typically synthesized?

(5S,6E)-5-Isopropyl-8-methyl-6,8-nonadien-2-one is usually synthesized via a Wittig reaction starting from the corresponding methyl ester and triphenylphosphine. The reaction is carried out in an inert solvent like dichloromethane, using a stoichiometric amount of triphenylphosphine. The product shows high selectivity and yield, making it a reliable method for the preparation of this compound.

What industries use (5S,6E)-5-Isopropyl-8-methyl-6,8-nonadien-2-one (CAS: 1937-54-8)?

(5S,6E)-5-Isopropyl-8-methyl-6,8-nonadien-2-one is utilized in the pharmaceutical industry for the synthesis of certain drugs. It is also employed in the polymer industry as a monomer for producing specific types of polymers. Additionally, this compound has applications in the field of chemical sensors and semiconductors, where its unique properties contribute to its functionality.

What precautions should be taken when handling (5S,6E)-5-Isopropyl-8-methyl-6,8-nonadien-2-one (CAS: 1937-54-8)?

When handling (5S,6E)-5-Isopropyl-8-methyl-6,8-nonadien-2-one, it is important to wear personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up immediately using appropriate absorbents, and the area should be properly ventilated. Always refer to the Material Safety Data Sheet (MSDS) for specific safety guidelines and emergency protocols.