(2S)-2-Octanol

Basic Information

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CAS Number

6169-06-8

Molecular Formula

C8H18O

Molecular Weight

130.23 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Hydrocarbons

Basic Physical Properties

Melting Point

-61.15°C (estimate)

Boiling Point

175 °C

Density

0.822 g/mL at 25 °C

Water Solubility

1 g/L (20 ºC)

Solubility

1.28g/l

Refractive Index

n20/D 1.426(lit.)

Specific Rotation

9.5 º (neat)

SMILES

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CCCCCCC(C)O

InChI

InChI=1S/C8H18O/c1-3-4-5-6-7-8(2)9/h8-9H,3-7H2,1-2H3/t8-/m0/s1

InChIKey

SJWFXCIHNDVPSH-QMMMGPOBSA-N

LogP

2.3376000000000006

Topological Polar Surface Area

20.23 Å²

Hydrogen Bond Donor/Acceptor

1 / 1

Complexity

52.5

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H305 May be fatal if swallowed and enters airways
Aspiration hazard

H316 Causes mild skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

H402 Harmful to aquatic life
Hazardous to the aquatic environment, acute hazard

Stability

Stable. Combustible. Incompatible with strong oxidizing agents

Explosive Limit

0.8%(V)

Synonyms & References

English

UNII-2855UV552L
(S)-(+)-Octanol
A833372
2-Octanol, (S)-
(S)-(+)-2-Octanol, for chiral derivatization
2-Octanol (S)
113301-48-7
(S)-1-METHYLHEPTYL ALCOHOL
2-Octanol, (2S)-
(S)-Octan-2-ol
d-2-octanol
D-(+)-OCTAN-2-OL
(2S)-2-octanol
2-OCTANOL D-FORM
AS-56576
(S)-(+)-Hexylmethylcarbinol
2-Octanol #
(S)-(+)-2-Octanol
EINECS 228-213-6
(S)-(+)-2-Octanol, 99%
(S)-2-OCTYL ALCOHOL
SCHEMBL619761
CS-0140577
D81747
2-OCTANOL, D-
(+)-2-octanol
DTXSID20880644
LMFA05000551
(2S)-OCTANOL
AKOS015840328
(S)-(+)-2-OCTYL ALCOHOL

MDL Number

MFCD00064283

Customs Code

29051620

FAQ

What regulatory guidelines apply to (2S)-2-Octanol (CAS: 6169-06-8)?

(2S)-2-Octanol is regulated under the Globally Harmonized System of Classification and Labelling of Chemicals (GHS), REACH regulations in the European Union, and FDA and EPA requirements in the United States. It is classified as a flammable liquid and requires proper labeling and safety data sheets (SDS).

Are there alternatives to (2S)-2-Octanol in synthesis?

Alternatives to (2S)-2-Octanol include (2R)-2-octanol and other octanols with different stereochemistry. Commonly used synthetic equivalents include terpineol and other terpenoids, which can serve similar functions in various applications such as fragrances and solvents.

What is the market or research trend for (2S)-2-Octanol (CAS: 6169-06-8)?

The market for (2S)-2-Octanol is driven by its use in fragrances, cosmetics, and as a flavoring agent. Research trends focus on its application in green chemistry and biodegradable products, with increasing demand for sustainable alternatives. Price trends show stability with minor fluctuations due to supply chain factors.

How should waste containing (2S)-2-Octanol be handled?

Waste containing (2S)-2-Octanol should be collected in appropriate containers, labeled with the correct hazard information, and disposed of through an approved waste management service. Incineration is a common method, but professional waste disposal is recommended to ensure compliance with environmental regulations and safety standards.