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Octane - Standard for GC,≥99.5%(GC), high purity , CAS No.111-65-9

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Octane - Standard for GC,≥99.5%(GC), high purity , CAS No.111-65-9

289 Citations

COA

Grade & Purity:

Standard for GC

≥99.5%(GC)

Cas Number: 111-65-9
Molecular Weight: 114.23
Beilstein Registry Number: 1696875
EC Number: 203-892-1
MDL number: MFCD00009556
PubChem CID: 356

In stock

Item Number

O100581

Grouped product items
SKU	Size	Availability	Price	Qty
O100581-5ml	5ml	5	$69.90

View related series

alkane (162) Non heterocyclic block (8163)

Basic Description

Synonyms	octane \| OCTANE [MI] \| n-C8H18 \| O0151 \| Octane, all isomers \| LMFA11000002 \| OTTANE \| Octane; NSC 9822; n-Octane \| Octil \| FT-0696530 \| OCTANE [INCI] \| Oktan \| Normal octane \| Ottani [Italian] \| Q150681 \| DTXCID406882 \| InChI=1/C8H18/c1-3-5-7-8-6-4-2/h3-
Specifications & Purity	Standard for GC, ≥99.5%(GC)
Storage Temp	Room temperature
Shipped In	Normal
Grade	Standard for GC

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Hydrocarbons
  - Class Saturated hydrocarbons
    - Subclass Alkanes

Kingdom	Organic compounds
Superclass	Hydrocarbons
Class	Saturated hydrocarbons
Subclass	Alkanes
Intermediate Tree Nodes	Not available
Direct Parent	Alkanes
Alternative Parents	Not available
Molecular Framework	Aliphatic acyclic compounds
Substituents	Acyclic alkane - Alkane - Aliphatic acyclic compound
Description	This compound belongs to the class of organic compounds known as alkanes. These are acyclic branched or unbranched hydrocarbons having the general formula CnH2n+2 , and therefore consisting entirely of hydrogen atoms and saturated carbon atoms.
External Descriptors	a small molecule
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Associated Targets(non-human)

Rattus norvegicus (775804 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	octane
INCHI	InChI=1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
InChIKey	TVMXDCGIABBOFY-UHFFFAOYSA-N
Smiles	CCCCCCCC
Isomeric SMILES	CCCCCCCC
WGK Germany	2
RTECS	RG8400000
UN Number	1262
Packing Group	II
Molecular Weight	114.23
Beilstein	1696875
Reaxy-Rn	1696875
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1696875&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

2 results found

Lot Number	Certificate Type	Date	Item
E2113362	Certificate of Analysis	Feb 08, 2025	O100581
K2223700	Certificate of Analysis	Nov 14, 2022	O100581

Chemical and Physical Properties

Solubility	Insoluble in water, soluble in most organic solvents such as ethanol, ether, benzene and acetone.
Refractive Index	1.397
Flash Point(°F)	55.4 °F
Flash Point(°C)	14°C
Boil Point(°C)	125°C
Melt Point(°C)	-57°C(lit.)
Molecular Weight	114.230 g/mol
XLogP3	3.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	5
Exact Mass	114.141 Da
Monoisotopic Mass	114.141 Da
Topological Polar Surface Area	0.000 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	25.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Citations of This Product

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