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1-Octacosanol structure
1-Octacosanol structure

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. View more+
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:?HarmfulXn
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

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
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