2,6,8-Trimethyl-4-nonanol

Basic Information

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CAS Number

123-17-1

Molecular Formula

C12H26O

Molecular Weight

186.34 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

-59.9°C

Boiling Point

113°C/20mmHg

Flash Point

200°C

Refractive Index

1.4350

SMILES

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CC(C)CC(C)CC(CC(C)C)O

InChI

InChI=1S/C12H26O/c1-9(2)6-11(5)8-12(13)7-10(3)4/h9-13H,6-8H2,1-5H3

InChIKey

LFEHSRSSAGQWNI-UHFFFAOYSA-N

LogP

3.465700000000003

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

118

Safety Information

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GHS Hazard Pictograms

H227

Hazard Statement

H227 Combustible liquid
Flammable liquids

Synonyms & References

English

2,6,8-Trimethyl-4-nonanol
Trimethylnonanolthreoerythro
2,6,8-Trimethyl-4-nonanol (threo- and erythro- mixture)
2,6,8-trimethylnonan-4-ol
4-HYDROXY-2,6,8-TRIMETHYLNONANE
4-Hydroxy-2,6,8-trimethylnonane (threo- and erythro- mixture)
2,6,8-trimethylnonanol-4
2,6,8-trimethyl-4-nonano
2,4,8-Trimethyl-6-nonanol
4-Nonanol, 2,6,8-trimethyl-
(threo- and erythro- mixture)
2,6,8-Trimethyl-4-nonanol 4-HYDROXY-2,6,8-TRIMETHYLNONANE
DSSTox_CID_9159
DSSTox_RID_78690
DSSTox_GSID_29159
NSC60574
2,8-Trimethylnonanol-4
2,8-Trimethyl-6-nonanol
2,8-Trimethyl-4-nonanol
4-Nonanol,6,8-trimethyl-
LFEH
2,6,8-trimethyl-4-nonanol
2,6,8-Trimethylnonanol-4
2,6,8-TRIMETHYL-4-NONANOL

MDL Number

MFCD00026491

Customs Code

2905199090

FAQ

What are the physical and chemical properties of 2,6,8-Trimethyl-4-nonanol (CAS: 123-17-1)?

2,6,8-Trimethyl-4-nonanol (CAS 123-17-1) is a colorless liquid with a slight odor. Its molecular weight is approximately 178.27 g/mol. It is moderately soluble in water but miscible with most organic solvents. This compound is relatively stable under normal conditions but reacts with strong oxidizing agents. It has a boiling point of 235°C and a melting point of -45°C.

How is 2,6,8-Trimethyl-4-nonanol (CAS: 123-17-1) typically synthesized?

2,6,8-Trimethyl-4-nonanol is typically synthesized by reducing a ketone precursor, such as 2,6,8-trimethyl-4-nonenone, using a reducing agent like lithium aluminum hydride (LAH) or sodium borohydride. The reaction is carried out under anhydrous conditions to prevent side reactions. The yield is generally high, and the product can be purified by distillation.

What industries use 2,6,8-Trimethyl-4-nonanol (CAS: 123-17-1)?

2,6,8-Trimethyl-4-nonanol (CAS 123-17-1) is used in various industries. It is a key component in the formulation of fragrances and flavorings due to its distinctive odor. It also finds applications in the pharmaceutical industry as a solvent and in the production of semiconductors as a precursor. Additionally, it is used in the polymer industry as a modifier to improve the physical properties of plastics and in the production of sensors.

What precautions should be taken when handling 2,6,8-Trimethyl-4-nonanol (CAS: 123-17-1)?

When handling 2,6,8-Trimethyl-4-nonanol (CAS 123-17-1), it is essential to wear appropriate personal protective equipment (PPE), such as gloves, goggles, and a laboratory coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials, and the area should be thoroughly rinsed with water. Always refer to the Safety Data Sheet (SDS) for detailed handling instructions and emergency procedures.