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Amyl nitrate chemical structure, C5H11NO3, CAS 1002-16-0
2D chemical structure

Key facts

What buyers check first

Appearance
Slightly yellow liquid
Melting point
-123.3 °C
Boiling point
150 °C
Density
0.99
Flash point
48 °C
HS code
292090
Category
Nitriles, nitro and azo compounds
UN number
UN 1112
Illustrative photo, pale yellow liquid in sealed glass ampoules on a laboratory bench
Typical packagingIllustrative packaging image, not the actual product

What is Amyl nitrate?

Plain description, key identifiers and synonyms

Amyl nitrate appears as a clear colorless liquid with an ether-like odor. Flash point 118 °F. About the same density as water and insoluble in water. Vapors heavier than air. Produces toxic oxides of nitrogen during combustion. Used as an additive for diesel fuels.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name
pentyl nitrate
CAS number
1002-16-0 CAS number cross-checked
EC number
213-684-2
Molecular formula
C5H11NO3
UNII
Z77A64H8TF
MDL number
MFCD00059177
InChIKey
HSNWZBCBUUSSQD-UHFFFAOYSA-N
InChI
InChI=1S/C5H11NO3/c1-2-3-4-5-9-6(7)8/h2-5H2,1H3
SMILES (canonical and isomeric)
CCCCCO[N+](=O)[O-]

Synonyms

  • Pentyl nitrate
  • n-Amyl nitrate
  • Nitrate D'amyle
  • Nitric acid, pentyl ester
  • n-pentyl nitrate
  • Diesel ignition improver
  • Pentyl nitrate #
  • 3-01-00-01605 (Beilstein Handbook Reference)
  • UN 1112

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
Slightly yellow liquidexp.
Odour
Sickening sweet odorexp.
Melting point
-123.3 °Cexp.
Boiling point
150 °Cexp.
Density
0.99exp.
Flash point
48 °Cexp.
Solubility
In water, 360 mg/L at 25 °Cexp.
Vapour pressure
5.07 mm Hg at 25 °Cexp.

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
133.15 g/molcalc.
Exact mass
133.0739 Dacalc.
LogP (octanol/water)
1.38calc.
Topological polar surface area
52.37 Ųcalc.
Hydrogen bond donors
0calc.
Hydrogen bond acceptors
3calc.
Rotatable bonds
5calc.
Heavy atoms
9calc.
Rings
0calc.
Aromatic rings
0calc.
Fraction sp3 carbons
1calc.
Formal charge
0calc.
Stereocentres
0calc.
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
Warning
GHS02: Flammable
Flammable
GHS07: Harmful or irritant
Harmful or irritant
200NFPA 704 rating

Hazard statements

  • H226Flammable liquid and vapour.
  • H315Causes skin irritation.
  • H319Causes serious eye irritation.
Precautionary statements (19)
  • P210Keep away from heat, hot surfaces, sparks, open flames and other ignition sources. No smoking.
  • P233Keep container tightly closed.
  • P240Ground and bond container and receiving equipment.
  • P241Use explosion-proof electrical, ventilating and lighting equipment.
  • P242Use non-sparking tools.
  • P243Take action to prevent static discharges.
  • P264Wash skin thoroughly after handling.
  • P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
  • P280Wear protective gloves, protective clothing, eye protection and face protection.
  • P302 + P352If on skin: Wash with plenty of water.
  • P303 + P361 + P353If on skin (or hair): Take off immediately all contaminated clothing. Rinse skin with water or shower.
  • P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
  • P321Specific treatment (see supplemental first aid instructions on the label).
  • P332 + P317If skin irritation occurs: Get medical help.
  • P337 + P317If eye irritation persists: Get medical help.
  • P362 + P364Take off contaminated clothing. And wash it before reuse.
  • P370 + P378In case of fire: Use appropriate media to extinguish.
  • P403 + P235Store in a well-ventilated place. Keep cool.
  • P501Dispose of contents and container in accordance with local regulations.
UN number
UN 1112
Transport hazard class
3
Packing group
III

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

Amyl nitrate suppliers

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Amyl nitrate 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

It is used in the military, has been used to increase the cetane number of diesel fuels, and is also a component of Otto fuel II.

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 Amyl nitrate is traded under.

HS 2920.90Indicative HS code

Esters, other than thiophosphoric esters (phosphorothioates) and phosphite esters and their salts…

World exports in 2024
$1.05B
+8.0% vs 2023, imports $1.23B
2019 to 2024
Top exporters
  1. China33.4%
  2. Germany18.8%
  3. United States12.4%
Top importers
  1. United States19.2%
  2. Singapore8.9%
  3. South Korea6.9%
Reported customs values in USD, not prices.Full trade data

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

Frequently asked questions

Quick answers about Amyl nitrate, based on the data on this page

What is Amyl nitrate?

Amyl nitrate appears as a clear colorless liquid with an ether-like odor. Flash point 118 °F. About the same density as water and insoluble in water. Vapors heavier than air. Produces toxic oxides of nitrogen during combustion. Used as an additive for diesel fuels.

What is the CAS number of Amyl nitrate?

The CAS registry number of Amyl nitrate is 1002-16-0.

What is the molecular formula and weight of Amyl nitrate?

The molecular formula of Amyl nitrate is C5H11NO3 and its molar mass is 133.15 g/mol.

What is Amyl nitrate used for?

It is used in the military, has been used to increase the cetane number of diesel fuels, and is also a component of Otto fuel II.

Is Amyl nitrate hazardous?

Amyl nitrate carries the GHS signal word "Warning". Main hazards: flammable liquid and vapour, causes skin irritation, causes serious eye irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Amyl nitrate?

Amyl nitrate is usually classified under HS code 292090 (Esters of other inorganic acids of non-metals (excluding esters of hydrogen halides) and…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Amyl nitrate?

CompoundList lists 4 suppliers of Amyl nitrate in Australia, China, Germany and Russia. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Amyl nitrate?

Suppliers quote Amyl nitrate 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 Amyl nitrate

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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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