Octane - electronic grade, ≥99%,≥99.999% metals basis , CAS No.111-65-9

CAS: 111-65-9 Cat. No.: O431477 Formula: C8H18 Molecular Weight: 114.23 Beilstein Registry Number: 1696875 EC Number: 203-892-1
AVAILABLE TO ORDER
GRADE & PURITY Electronic grade ? Electronic grade — ultra-low metallic and particulate impurities for microelectronics. Use in semiconductor and electronics processes intolerant of contamination. ≥99%,≥99.999% metals basis
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-
Storage
Room temperature
Shipped In
FedEx DG Service
★
Size
USA
Germany (EU)*
Price
Qty
100ml
O431477-100ml
Made to order · 8–12 wks

$789.90

$922.90
Save $133.00 (14.41%)
Enter a quantity for the sizes you want to add.
🧪
Why this grade

electronic grade, ≥99%,≥99.999% metals basis Electronic grade for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships FedEx DG Service Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 420 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

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
electronic grade, ≥99%,≥99.999% metals basis
Storage
Room temperature
Shipped In
FedEx DG Service
Grade
Electronic grade
Purity
≥99%,≥99.999% metals basis
Names and Identifiers
Canonical Smiles
CCCCCCCC
IUPAC Name
octane
InChIKey
TVMXDCGIABBOFY-UHFFFAOYSA-N
INCHI
1S/C8H18/c1-3-5-7-8-6-4-2/h3-8H2,1-2H3
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=

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassHydrocarbons
ClassSaturated hydrocarbons
SubclassAlkanes
Intermediate Tree Nodes Not available
Direct ParentAlkanes
Alternative Parents Not available
Molecular FrameworkAliphatic acyclic compounds
Substituents Acyclic alkane - Alkane - Aliphatic acyclic compound
DescriptionThis 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
3D Structure
Interactive Chemical Structure Model





Associated Targets(non-human)
Rattus norvegicus (775804 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
Refractive Index1.397
Flash Point(°F)55.4 °F
Flash Point(°C)14°C
Boil Point(°C)125°C
Melt Point(°C)-57°C(lit.)
Molecular Weight114.230 g/mol
XLogP33.900
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count5
Exact Mass114.141 Da
Monoisotopic Mass114.141 Da
Topological Polar Surface Area0.000 Ų
Heavy Atom Count8
Formal Charge0
Complexity25.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Documents & Articles
Citations of This Product
Solution Calculators
Reviews

Customer Reviews

Shall we send you a message when we have discounts available?

Remind me later

Thank you! Please check your email inbox to confirm.

Oops! Notifications are disabled.