Heptacosane
Also known as n-Heptacosane, CH3-[CH2]25-CH3, CH3-(CH2)25-CH3
Key facts
What buyers check first
- Appearance
- Crystals form alcohol, benzene, leaves from ethyl acetate
- Melting point
- 58.8 °C
- Boiling point
- 442 °C
- Density
- 0.7796 g/cm³ at 60 °C
- Solubility
- Insoluble in water
- HS code
- 290110
- Category
- Paraffins, waxes and cycloalkanes
What is Heptacosane?
Plain description, key identifiers and synonyms
Heptacosane is a straight-chain alkane with 27 carbon atoms. It has a role as a volatile oil component and a plant metabolite.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- heptacosane
- CAS number
- 593-49-7 CAS number cross-checked
- EC number
- 209-792-4
- Molecular formula
- C27H56
- UNII
- VP371W2GJS
- MDL number
- MFCD00009862
- InChIKey
- BJQWYEJQWHSSCJ-UHFFFAOYSA-N
- InChI
- InChI=1S/C27H56/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-27H2,1-2H3
- SMILES (canonical and isomeric)
- CCCCCCCCCCCCCCCCCCCCCCCCCCC
Synonyms
- n-Heptacosane
- CH3-[CH2]25-CH3
- CH3-(CH2)25-CH3
- nHeptacosane
- n-Heptacosan
- Alkane c27
- Heptacosane 98+%
- n-Heptacosane 95+%
- QSPL 047
- QSPL 073
- Heptacosane, analytical standard
- Heptacosane, >=98.0% (GC)
- Heptacosane, standard for gc
- n-Heptacosane, delta13C: -25.48
- n-Heptacosane 100 |Ig/mL in Hexane
- n-Heptacosane 100 microg/mL in Hexane
- n-Heptacosane Solution in Hexane, 100ug/mL
- 4557DE11-D8CE-461B-BBA4-5A5BBDA1A670
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 | Crystals form alcohol, benzene, leaves from ethyl acetateexp.Measured value |
|---|---|
| Melting point | 58.8 °Cexp.Measured value |
| Boiling point | 442 °Cexp.Measured value |
| Density | 0.7796 g/cm³ at 60 °Cexp.Measured value |
| Solubility | Insoluble in waterexp.Measured value |
| Vapour pressure | VP: 1 Pa at 136.7 °C, 10 Pa at 168.8 °C, 100 Pa 206.5 °C, 1 kPa at 255.8 °C, 10 kPa at 323.3 °C, 100 kPa at 421.2 °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 | 380.75 g/molcalc.Computed value |
|---|---|
| Exact mass | 380.4382 Dacalc.Computed value |
| LogP (octanol/water) | 10.78calc.Computed value |
| Topological polar surface area | 0 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 0calc.Computed value |
| Rotatable bonds | 24calc.Computed value |
| Heavy atoms | 27calc.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
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 aidHeptacosane suppliers
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Heptacosane 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
- plant metabolite
- volatile oil component
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
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Heptacosane is traded under.
Saturated
- United States79.8%
- Canada10.1%
- Germany1.4%
- China34.6%
- United States12.2%
- Sweden5.0%
The HS code shown for Heptacosane 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
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 Heptacosane, based on the data on this page
What is Heptacosane?
What is the CAS number of Heptacosane?
What is the molecular formula and weight of Heptacosane?
What is Heptacosane used for?
Is Heptacosane hazardous?
What is the HS code of Heptacosane?
Where can I buy Heptacosane?
What is the price of Heptacosane?
Guides for buyers
Practical guides that help when you source, ship or handle Heptacosane
- 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
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
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