1-Octacosanol
- Iupac Name：octacosan-1-ol
- CAS No.: 557-61-9
- Molecular Weight：410.75952
- Modify Date.: 2022-10-31 06:22
- Introduction: A 28-carbon primary fatty alcohol commonly found in the epicuticular waxes of plants. It has shown protective effects against parkonsonism and due to its excellent tolerability and non-toxicity, octacosanol may be a promising agent for PD treatment.
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1. Names and Identifiers
- 1.1 Name
- 1-Octacosanol
- 1.2 Synonyms
1-Octacosanol SynonyMs: Policosanol 1-Octacosanol,n-Octacosanol 1-OctacosanolCluytyl alcohol Cluytyl alcohol EINECS 209-181-2 MFCD00044770 Montanyl alcohol n-octacosanol NSC 10770 NSC 57768 Octacosan-1-ol Octacosano octacosanol OCTACOSANOL, 1- OCTACOSANOL,1 OCTACOSYL ALCOHOL Policosanol
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- 1.3 CAS No.
- 557-61-9
- 1.4 CID
- 68406
- 1.5 EINECS(EC#)
- 209-181-2
- 1.6 Molecular Formula
- C28H58O (isomer)
- 1.7 Inchi
- InChI=1S/C28H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29/h29H,2-28H2,1H3
- 1.8 InChIkey
- CNNRPFQICPFDPO-UHFFFAOYSA-N
- 1.9 Canonical Smiles
- CCCCCCCCCCCCCCCCCCCCCCCCCCCCO
- 1.10 Isomers Smiles
- CCCCCCCCCCCCCCCCCCCCCCCCCCCCO
2. Properties
- 2.1 Density
- 0.841
- 2.1 Melting point
- 83.3℃
- 2.1 Boiling point
- 200-250℃
- 2.1 Refractive index
- 1.458
- 2.1 Flash Point
- 135.3 °C
- 2.1 Precise Quality
- 410.44900
- 2.1 PSA
- 20.23000
- 2.1 logP
- 10.14120
- 2.1 Solubility
- <0.1 g/100 mL at 21.5 ºC
- 2.2 Appearance
- white crystals or powder
- 2.3 Chemical Properties
- white crystals or powder
- 2.4 Color/Form
- Oil
- 2.5 pKa
- 15.20±0.10(Predicted)
- 2.6 Water Solubility
- <0.1 g/100 mL at 21.5 oC
- 2.7 Stability
- Stable. Light-sensitive. Incompatible with strong oxidizing agents.
- 2.8 StorageTemp
- 2-8°C
3. Use and Manufacturing
- 3.1 Definition
- ChEBI: A long-chain primary fatty alcohol that is octacosane in which a hydrogen attached to one of the terminal carbons is replaced by a hydroxy group.
- 3.2 General Description
- White crystalline powder.
- 3.3 Purification Methods
- Recrystallise it from large volumes of Me2CO. Sublime it at 200-250o/1mm instead of distilling it. [Beilstein 2 IV 1318.] 1-Octacosanol Preparation Products And Raw materials Preparation Products
- 3.4 Usage
- A 28-carbon primary fatty alcohol commonly found in the epicuticular waxes of plants. It has shown protective effects against parkonsonism and due to its excellent tolerability and non-toxicity, octacosanol may be a promising agent for PD treatment.
4. Safety and Handling
- 4.1 Hazard Codes
- Xn
- 4.1 Risk Statements
- R20/21/22
- 4.1 Safety Statements
- S22;S24/25
- 4.1 Packing Group
- I; II; III
- 4.1 Fire Hazard
- Flash point data for 1-Octacosanol are not available; however, 1-Octacosanol is probably combustible.
- 4.2 RIDADR
- NONH for all modes of transport
- 4.2 WGK Germany
- -
- 4.2 Safety
-
Hazard Codes:?
Xn
Risk Statements: 20/21/22-36/37/38
R20/21/22: Harmful by inhalation, in contact with skin and if swallowed.
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 22-24/25-37/39-26
S22: Do not breathe dust.?
S24/25: Avoid contact with skin and eyes.?
S37/39: Wear suitable gloves and eye/face protection.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: -
- 4.3 Specification
-
?1-Octacosanol , its cas register number is 557-61-9. It also can be called Cluytyl alcohol ; Octacosyl alcohol ; Policosanol ; and Montanyl alcohol . The extinguishing agent of?1-Octacosanol (CAS No. 557-61-9) are dry powder, foam, sand, carbon dioxide, water mist.
5. MSDS
2.Hazard identification
2.1 Classification of the substance or mixture
Not classified.
2.2 GHS label elements, including precautionary statements
| Pictogram(s) | No symbol. |
| Signal word | No signal word. |
| Hazard statement(s) | none |
| Precautionary statement(s) | |
| Prevention | none |
| Response | none |
| Storage | none |
| Disposal | none |
2.3 Other hazards which do not result in classification
none
7. Synthesis Route
557-61-9Total: 23 Synthesis Route
9. Computational chemical data
- Molecular Weight: 410.75952g/mol
- Molecular Formula: C28H58O
- Compound Is Canonicalized: True
- XLogP3-AA: null
- Exact Mass: 410.448766469
- Monoisotopic Mass: 410.448766469
- Complexity: 263
- Rotatable Bond Count: 26
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Topological Polar Surface Area: 20.2
- Heavy Atom Count: 29
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count: 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Isotope Atom Count: 0
- Covalently-Bonded Unit Count: 1
- CACTVS Substructure Key Fingerprint: AAADcfB4IAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACggAICAAAAAgAAAAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
10. Question & Answer
-
"Three highs" (hypertension, hyperlipidemia, hyperglycemia) are becoming more and more common, and people's attention to "three highs" has reached an unprecedented level. Among the "three highs", pati..
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Our daily medications are often composed of multiple ingredients, and if it's a western medicine, it utilizes various chemical components. Among them, 1-Octacosanol has excellent medicinal effects. So..
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1-Octacosanol is a naturally occurring high alcohol and is widely recognized as an anti-fatigue substance. It is mainly found in natural products such as sugarcane wax, rice bran wax, wheat germ oil, ..
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