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Organometallic compounds

n-Octyllithium

Also known as Octyllithium, Lithium octan-1-ide

CAS 3314-49-6Formula C8H17LiMolar mass 120.17 g/molEC 658-071-4
GHS signal word: Danger. Pictograms: Flammable, Corrosive
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n-Octyllithium chemical structure, C8H17Li, CAS 3314-49-6
2D chemical structure

Key facts

What buyers check first

All properties
CAS number
3314-49-6
Formula
C8H17Li
Molar mass
120.17 g/mol
EC number
658-071-4
HS code
290110
Category
Organometallic compounds

What is n-Octyllithium?

Plain description, key identifiers and synonyms

n-Octyllithium is a chemical substance with the molecular formula C8H17Li and a molar mass of 120.17 g/mol. Its CAS registry number is 3314-49-6. The IUPAC name is lithium octane.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
lithium octane
CAS number
3314-49-6 CAS number cross-checked
EC number
658-071-4
Molecular formula
C8H17Li
InChIKey
IQIWJEAPUNWDLC-UHFFFAOYSA-N
InChI
InChI=1S/C8H17.Li/c1-3-5-7-8-6-4-2;/h1,3-8H2,2H3;/q-1;+1
SMILES (canonical and isomeric)
[Li+].CCCCCCC[CH2-]

Synonyms

  • Octyllithium
  • Lithium octan-1-ide

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

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

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
120.17 g/molcalc.
Exact mass
120.149 Dacalc.
LogP (octanol/water)
0.18calc.
Topological polar surface area
0 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
0calc.
Rotatable bonds
5calc.
Heavy atoms
9calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
0.88calc.
Formal charge
0calc.
Stereocentres
0calc.
Components
2calc.
Lipinski rule of five
Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word
Danger
GHS02: Flammable
Flammable
GHS05: Corrosive
Corrosive

Hazard statements

  • H250Catches fire spontaneously if exposed to air.
  • H314Causes severe skin burns and eye damage.
Precautionary statements (18)
  • P210Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
  • P222Do not allow contact with air.
  • P231Handle and store contents under inert gas.
  • P233Keep container tightly closed.
  • P260Do not breathe dust, fume, gas, mist, vapours or spray.
  • P264Wash skin thoroughly after handling.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P301 + P330 + P331If swallowed: Rinse mouth. Do not induce vomiting.
  • P302 + P335 + P334If on skin: Brush off loose particles from skin. Immerse in cool water or wrap in wet bandages.
  • P302 + P361 + P354If on skin: Take off immediately all contaminated clothing. Immediately rinse with water for several minutes.
  • P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
  • P305 + P354 + P338If in eyes: Immediately rinse with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P316Get emergency medical help immediately.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P363Wash contaminated clothing before reuse.
  • P370 + P378In case of fire: Use appropriate media to extinguish.
  • 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 aid

n-Octyllithium suppliers

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n-Octyllithium 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

Applications are not documented for this substance yet. Suppliers often describe uses on their product pages, linked in the suppliers list above.

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 n-Octyllithium is traded under.

HS 2901.10Indicative HS code

Saturated

World exports in 2024
$8.47B
+23.9% vs 2023, imports $7.66B
2019 to 2024
Top exporters
  1. United States79.8%
  2. Canada10.1%
  3. Germany1.4%
Top importers
  1. China34.6%
  2. United States12.2%
  3. Sweden5.0%
Reported customs values in USD, not prices.Full trade data

The HS code shown for n-Octyllithium is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Frequently asked questions

Quick answers about n-Octyllithium, based on the data on this page

What is n-Octyllithium?

n-Octyllithium is a chemical substance with the molecular formula C8H17Li and a molar mass of 120.17 g/mol. Its CAS registry number is 3314-49-6. The IUPAC name is lithium octane.

What is the CAS number of n-Octyllithium?

The CAS registry number of n-Octyllithium is 3314-49-6.

What is the molecular formula and weight of n-Octyllithium?

The molecular formula of n-Octyllithium is C8H17Li and its molar mass is 120.17 g/mol.

Is n-Octyllithium hazardous?

n-Octyllithium carries the GHS signal word "Danger". Main hazards: catches fire spontaneously if exposed to air, causes severe skin burns and eye damage. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of n-Octyllithium?

n-Octyllithium is usually classified under HS code 290110 (Saturated). This is indicative, confirm it with your customs broker before shipping.

Where can I buy n-Octyllithium?

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What is the price of n-Octyllithium?

Suppliers quote n-Octyllithium on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle n-Octyllithium

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Data last updated 7 Oct 2026. Details may have changed, please confirm them with the supplier. Report an error on this page
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