Pentacosane
Also known as n-Pentacosane, Pentacosane, 99%, (2H52)Pentacosane
Key facts
What buyers check first
- Appearance
- White solid
- Melting point
- 53.3 °C
- Boiling point
- 401.9 °C
- Density
- 0.812 g/cm³ at 20 °C
- Flash point
- 120 °C
- HS code
- 290110
- Category
- Paraffins, waxes and cycloalkanes
What is Pentacosane?
Plain description, key identifiers and synonyms
Pentacosane is an alkane consisting of an unbranched chain of 25 carbon atoms. It has a role as a semiochemical and a plant metabolite.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- pentacosane
- CAS number
- 629-99-2 CAS number cross-checkedOther or deprecated CAS: 28503-88-0
- EC number
- 211-123-6
- Molecular formula
- C25H52
- UNII
- BON9H94Y8V
- MDL number
- MFCD00009353
- InChIKey
- YKNWIILGEFFOPE-UHFFFAOYSA-N
- InChI
- InChI=1S/C25H52/c1-3-5-7-9-11-13-15-17-19-21-23-25-24-22-20-18-16-14-12-10-8-6-4-2/h3-25H2,1-2H3
- SMILES (canonical and isomeric)
- CCCCCCCCCCCCCCCCCCCCCCCCC
Synonyms
- n-Pentacosane
- Pentacosane, 99%
- (2H52)Pentacosane
- Pentacosane (Standard)
- Pentacosane, analytical standard
- CH3-[CH2]23-CH3
- Pentacosane 10000 |Ig/mL in Dichloromethane
- n-Pentacosane Solution in Cyclohexane, 1000ug/mL
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 | White solidexp.Measured value |
|---|---|
| Melting point | 53.3 °Cexp.Measured value |
| Boiling point | 401.9 °Cexp.Measured value |
| Density | 0.812 g/cm³ at 20 °Cexp.Measured value |
| Flash point | 120 °Cexp.Measured value |
| Solubility | Soluble in benzene, chloroformexp.Measured value |
| Vapour pressure | 1.51 × 10⁻⁶ mm Hg at 25 °C (extrapolated)exp.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 | 352.69 g/molcalc.Computed value |
|---|---|
| Exact mass | 352.4069 Dacalc.Computed value |
| LogP (octanol/water) | 10calc.Computed value |
| Topological polar surface area | 0 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 0calc.Computed value |
| Rotatable bonds | 22calc.Computed value |
| Heavy atoms | 25calc.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
- H304May be fatal if swallowed and enters airways.
Precautionary statements (4)
- P301 + P316If swallowed: Get emergency medical help immediately.
- P331Do not induce vomiting.
- 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 aidPentacosane suppliers
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- Singapore, SingaporeUnclaimed profilePentacosaneGrade, purity and minimum order on requestPrice on request
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Pentacosane 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
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).
Roles
- eukaryotic metabolite
- metabolite
- molecular messenger
- plant metabolite
- semiochemical
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
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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
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 Pentacosane is traded under.
Saturated
- United States79.8%
- Canada10.1%
- Germany1.4%
- China34.6%
- United States12.2%
- Sweden5.0%
The HS code shown for Pentacosane 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 Pentacosane, based on the data on this page
What is Pentacosane?
What is the CAS number of Pentacosane?
What is the molecular formula and weight of Pentacosane?
What is Pentacosane used for?
Is Pentacosane hazardous?
What is the HS code of Pentacosane?
Where can I buy Pentacosane?
What is the price of Pentacosane?
Guides for buyers
Practical guides that help when you source, ship or handle Pentacosane
- Guide, Trade and logisticsShipping dangerous goods: UN numbers, classes and packing groupsHow the UN dangerous goods system works for chemicals, from the nine classes and UN numbers to packing groups, UN packaging marks, labels, documents and segregation.Read
- 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
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