Docosane
Also known as n-Docosane, Parafol 22-95, Dokosan
Key facts
What buyers check first
- Appearance
- Platelets from toluene, crystals from ether
- Melting point
- 43.8 °C
- Boiling point
- 369 °C
- Density
- 0.7944 g/cm³ at 20 °C
- Flash point
- 113 °C
- HS code
- 290110
- Category
- Synthetic aroma chemicals
What is Docosane?
Plain description, key identifiers and synonyms
Docosane is a straight-chain alkane with 22 carbon atoms. It has a role as a plant metabolite.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- docosane
- CAS number
- 629-97-0 CAS number cross-checked
- EC number
- 211-121-5
- Molecular formula
- C22H46
- UNII
- OW99Q363KO
- MDL number
- MFCD00009348
- INCI name
- DOCOSANE
- InChIKey
- HOWGUJZVBDQJKV-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H46/c1-3-5-7-9-11-13-15-17-19-21-22-20-18-16-14-12-10-8-6-4-2/h3-22H2,1-2H3
- SMILES (canonical and isomeric)
- CCCCCCCCCCCCCCCCCCCCCC
Synonyms
- n-Docosane
- Parafol 22-95
- Dokosan
- Normal-docosane
- CH3-[CH2]20-CH3
- Docosane, analytical standard
- Heneicosane, methyl-
- TWT
- Docosane, n-
- Docosane, 99%
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
| Appearance | Platelets from toluene, crystals from etherexp.Measured value |
|---|---|
| Odour | Odorlessexp.Measured value |
| Melting point | 43.8 °Cexp.Measured value |
| Boiling point | 369 °Cexp.Measured value |
| Density | 0.7944 g/cm³ at 20 °Cexp.Measured value |
| Flash point | 113 °Cexp.Measured value |
| Solubility | In water. 7.77 × 10⁻⁷ mg/L at 25 °Cexp.Measured value |
| Vapour pressure | 1.28 × 10⁻⁶ mm Hg at 25 °Cexp.Measured value |
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 310.61 g/molcalc.Computed value |
|---|---|
| Exact mass | 310.36 Dacalc.Computed value |
| LogP (octanol/water) | 8.83calc.Computed value |
| Topological polar surface area | 0 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 0calc.Computed value |
| Rotatable bonds | 19calc.Computed value |
| Heavy atoms | 22calc.Computed value |
| Rings | 0calc.Computed value |
| Aromatic rings | 0calc.Computed value |
| Fraction sp3 carbons | 1calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (1 violation)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Safety and hazards
GHS classification summary, not a safety data sheet
Hazard statements
- H315Causes skin irritation.
- H319Causes serious eye irritation.
- H335May cause respiratory irritation.
Precautionary statements (16)
- P261Avoid breathing dust, fume, gas, mist, vapours or spray.
- P264Wash skin thoroughly after handling.
- P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
- P271Use only outdoors or in a well-ventilated area.
- P280Wear protective gloves, protective clothing, eye protection and face protection.
- P302 + P352If on skin: Wash with plenty of water.
- P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
- P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
- P319Get medical help if you feel unwell.
- P321Specific treatment (see supplemental first aid instructions on the label).
- P332 + P317If skin irritation occurs: Get medical help.
- P337 + P317If eye irritation persists: Get medical help.
- P362 + P364Take off contaminated clothing. And wash it before reuse.
- P403 + P233Store in a well-ventilated place. Keep container tightly closed.
- P405Store locked up.
- P501Dispose of contents and container in accordance with local regulations.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Full safety data and first aidDocosane suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- Price on request
- China ManufacturerUnclaimed profileN-DocosaneGrade, purity and minimum order on requestPrice on request
- ChinaUnclaimed profileDocosaneGrade, purity and minimum order on requestPrice on request
- India ManufacturerUnclaimed profilen-DOCOSANEGrade, purity and minimum order on requestPrice on request
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Docosane price
Indicative price range per kg from live supplier offers
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Uses and applications
What the substance is used for, by industry and function
Organic synthesis, calibration, temperature-sensing devices.
They are used mainly in applications for which isoalkanes are not acceptable for biological reasons, e.g., the production of detergents or proteins. (Higher n-Alkanes).
Solid n-alkanes (paraffin waxes) are used in a variety of applications, e.g., ... oxidation, and chlorination reactions. (Higher n-Alkanes).
Industrial uses: Intermediate.
Industries and functions
Cosmetic ingredient, INCI name DOCOSANE(perfuming)
Roles
- eukaryotic metabolite
- metabolite
- plant metabolite
Functional uses
- Fragrance
Cosmetic functions
- Perfuming
How it is made
The liquefaction of coal provides the greatest variety of saturated hydrocarbons. The Fischer-Tropsch synthesis produces alkanes from syngas (CO + H2) in the range C1 to C30 or higher depending on the process variant: depending on the catalyst employed, the synthesis yields predominantly liquid hydrocarbons in the gasoline range, along with gases from C1 to C4 when iron-based catalysts are used, while cobalt-based catalysts produce longer chain hydrocarbons in the diesel and wax range that often undergo, depending of the desired product slate, further processing, especially for gasoline genera
Read more
tion. While iron-based Fischer-Tropsch catalysts generate complex mixtures that also include branched and olefinic hydrocarbons, cobalt-based catalysts produce streams that are rich in n-alkanes and are therefore suitable raw materials for detergents and for wax products. (Saturated Hydrocarbons)
Suitable sources for n-alkanes with more than six carbon atoms are the appropriate petroleum distillate fractions, from which the n-paraffins can be isolated in high isomeric purity (= 95% linearity) by selective separation techniques, especially fractional distillation. (Higher n-Alkanes)
Regulatory status
Inventories, regulations and trade controls that list this substance
Health and food
- EU cosmetic ingredient inventory
United States
- TSCA inventory (USA)Status: Active in US commerce
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Docosane is traded under.
Saturated
- United States79.8%
- Canada10.1%
- Germany1.4%
- China34.6%
- United States12.2%
- Sweden5.0%
The HS code shown for Docosane is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Stereoisomers and isotopic forms
Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
Same formula isomers
Different compounds that share this molecular formula
Frequently asked questions
Quick answers about Docosane, based on the data on this page
What is Docosane?
What is the CAS number of Docosane?
What is the molecular formula and weight of Docosane?
What is Docosane used for?
Is Docosane hazardous?
What is the HS code of Docosane?
Where can I buy Docosane?
Where can I buy Docosane in India?
What is the price of Docosane?
Guides for buyers
Practical guides that help when you source, ship or handle Docosane
- Guide, SafetyHow to read a safety data sheet in 10 minutesA section by section method to pull the essentials out of any 16 section SDS: identity, hazards, composition, storage, PPE, properties, transport and emergency measures.Read
- Guide, SafetyGHS pictograms, signal words and hazard statements explainedA practical guide to the nine GHS pictograms, the signal words Danger and Warning, H and P statements, and how to read a chemical label in seconds.Read
- Article, FormulationHow to choose a cosmetic emulsifierA structured way to choose an emulsifier for creams and lotions: emulsion type, HLB and its limits, emulsifier families, formula fit, stability testing and what to ask suppliers.Read
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