
Isoamyl Nitrite
Isoamyl nitrite is a nitrite ester having isopentyl as the alkyl group. It has a role as a vasodilator agent and an antihypertensive agent. It is functionally related to an isoamylol. — ChEBI
- IUPAC name
- 3-methylbutyl nitrite
- Molecular formula
- C5H11NO2
- Molecular weight
- 117.15 g/mol
- Exact mass
- 117.078978594 Da
- XLogP3
- 1.7
- Topological polar surface area
- 38.7 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 3
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
16 more reported names
External database identifiers
- ChEBI:CHEBI:2691
- ChEMBL:CHEMBL1535371
- EPA DTXSID:DTXSID9025455
- PubMed:22606955
- PubMed:22268155
- PubMed:22174654
- PubMed:21711620
- PubMed:21587610
- PubMed:21581251
- PubMed:21495143
- PubMed:20416372
- PubMed:19425783
- PubMed:19294290
- PubMed:19109018
- PubMed:18940810
Evidence from additional scientific databases
NIH PubChem PUG-View
Attributed physical-property, hazard, environmental and use annotations.
- Autoignition Temperature: 408 °F (NTP, 1992) Source: CAMEO Chemicals
- Autoignition Temperature: 408 °F Source: Hazardous Substances Data Bank (HSDB)
- Autoignition Temperature: 209 °C Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Boiling Point: 205 to 210 °F at 760 mmHg (NTP, 1992) Source: CAMEO Chemicals
- Boiling Point: 99.2 °C Source: Hazardous Substances Data Bank (HSDB)
- Boiling Point: 99.2 °C Source: Human Metabolome Database (HMDB)
- Boiling Point: 97-99 °C Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Boiling Point: 99.2 °C @760 [mm Hg] Source: PAC Chemical Database, U.S. Department of Energy
- Color/Form: Yellowish, transparent liquid Source: Hazardous Substances Data Bank (HSDB)
- Density: 0.8528 at 68 °F (NTP, 1992) - Less dense than water; will float Source: CAMEO Chemicals
- Density: 0.875 @ 25 °C Source: Hazardous Substances Data Bank (HSDB)
- Density: Relative density (water = 1): 0.875 Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Density: 0.8828 @ 20°C Source: PAC Chemical Database, U.S. Department of Energy
- Flash Point: less than 69 °F (NTP, 1992) Source: CAMEO Chemicals
- Flash Point: 3 °C Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Odor: Penetrating fragrant, somewhat fruity odor Source: Hazardous Substances Data Bank (HSDB)
- Physical Description: Isoamyl nitrite is a clear yellow liquid. (NTP, 1992) Source: CAMEO Chemicals
- Physical Description: Yellowish transparent liquid with a penetrating, somewhat fruity odor; Unstable, decomposed by light and air; [Merck Index] Colorless liquid; [MSDSonline] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Physical Description: Liquid Source: Human Metabolome Database (HMDB)
- Physical Description: YELLOW LIQUID WITH CHARACTERISTIC ODOUR. Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Refractive Index: Index of refraction: 1.3918 @ 20 °C Source: Hazardous Substances Data Bank (HSDB)
- Solubility: less than 0.1 mg/mL at 64 °F (NTP, 1992) Source: CAMEO Chemicals
- Solubility: MISCIBLE WITH ETHER, ALCOHOL, CHLOROFORM Source: Hazardous Substances Data Bank (HSDB)
- Solubility: Very slightly soluble in water Source: Hazardous Substances Data Bank (HSDB)
- Solubility: Solubility in water: none Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Vapor Pressure: 26.3 [mmHg] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Vapor Pressure: Vapor pressure, kPa at 20 °C: 3.5 Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Exposure Routes: The substance can be absorbed into the body by inhalation and through the skin. Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- First Aid: EYES: First check the victim for contact lenses and remove if present. Flush victim's eyes with water or normal saline solution for 20 to 30 minutes while simultaneously calling a hospital or poison control center. Do not put any ointments, oils, or medication in the victim's eyes without specific instructions from a physician. IMMEDIATELY transport the victim after flushing eyes to a hospital even if no symptoms (such as redness or irritation) develop.; SKIN: IMMEDIATELY flood affected skin with water while removing and isolating all contaminated clothing. Gently wash all affected skin areas thoroughly with soap and water. If symptoms such as redness or irritation develop, IMMEDIATELY call a physician and be prepared to transport the victim to a hospital for treatment.; INHALATION: IMMEDIATELY leave the contaminated area; take deep breaths of fresh air. If symptoms (such as wheezing, coughing, shortness of breath, or burning in the mouth, throat, or chest) develop, call a physician and be prepared to transport the victim to a hospital. Provide proper respiratory protection to rescuers entering an unknown atmosphere. Whenever possible, Self-Contained Breathing Apparatus (SCBA) shou Source: CAMEO Chemicals
- ERG2024, Guide 129 (Amyl nitrite): General First Aid:; · Call 911 or emergency medical service.; · Ensure that medical personnel are aware of the material(s) involved, take precautions to protect themselves and avoid contamination.; · Move victim to fresh air if it can be done safely.; · Administer oxygen if breathing is difficult.; · If victim is not breathing:; -- DO NOT perform mouth-to-mouth resuscitation; the victim may have ingested or inhaled the substance.; -- If equipped and pulse detected, wash face and mouth, then give artificial respiration using a proper respiratory medical device (bag-valve mask, pocket mask equipped with a one-way valve or other device).; -- If no pulse detected or no respiratory medical device available, provide continuous compressions. Conduct a pulse check every two minutes or monitor for any signs of spontaneous respirations.; · Remove and isolate contaminated clothing and shoes.; · For minor skin contact, avoid spreading material on unaffected skin.; · In case of contact with substance, remove immediately by flushing skin or eyes with running water for at least 20 minutes.; · For severe burns, immediate medical attention is required.; · Effects of exposure (inhalation, ingestion, Source: Emergency Response Guidebook (ERG)
- Signal: Danger Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- GHS Hazard Statements: H225: Highly Flammable liquid and vapor [Danger Flammable liquids]; H302: Harmful if swallowed [Warning Acute toxicity, oral]; H332: Harmful if inhaled [Warning Acute toxicity, inhalation] Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P261, P264, P270, P271, P280, P301+P317, P303+P361+P353, P304+P340, P317, P330, P370+P378, P403+P235, and P501 (click each P-code to see the statement) Source: Regulation (EC) No 1272/2008 of the European Parliament and of the Council
- Signal: Danger Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]; H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H314 (13.5%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H317 (13.5%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H318 (13.5%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H332 (93.2%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H341 (13.5%): Suspected of causing genetic defects [Warning Germ cell mutagenicity] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P203, P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P318, P321, P330, P333+P317, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement) Source: European Chemicals Agency (ECHA)
- ECHA C&L Notifications Summary: Aggregated GHS information provided per 74 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.; Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. Source: European Chemicals Agency (ECHA)
- Signal: Warning Source: NITE-CMC
- GHS Hazard Statements: H317: May cause an allergic skin reaction [Warning Sensitization, Skin]; H400: Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]; H412: Harmful to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] Source: NITE-CMC
- Precautionary Statement Codes: P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement) Source: NITE-CMC
- Signal: Danger Source: NITE-CMC
- GHS Hazard Statements: H225: Highly Flammable liquid and vapor [Danger Flammable liquids]; H331: Toxic if inhaled [Danger Acute toxicity, inhalation]; H370: Causes damage to organs [Danger Specific target organ toxicity, single exposure] Source: NITE-CMC
- Sources/Uses: Used in perfumes and to make diazonium compounds; Also used as a drug (vasodilator for angina and antidote for hydrogen cyanide poisoning); [HSDB] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Uses: Used in perfumes; preparation of diazonium compounds Source: Hazardous Substances Data Bank (HSDB)
- Uses: Used as a vasodilator in angina therapy in the treatment of hydrogen cyanide and hydrogen sulfide poisonings, and as an industrial chemical and perfume scent Source: Hazardous Substances Data Bank (HSDB)
- Uses: MEDICATION Source: Hazardous Substances Data Bank (HSDB)
- Uses: MEDICATION (VET) Source: Hazardous Substances Data Bank (HSDB)
Mapped by: Existing checksum-valid CAS to unique PubChem CID match. Retrieved: 2026-08-31. Open source record
Scientific classifications and hazard annotations provide context and do not replace the market-specific regulatory decision shown above.
Additional source coverage and match status
| Source | Result | Checked |
|---|---|---|
| NIH PubChem PUG-View | Exact match | 2026-08-31 |
A recorded no-match is useful evidence that the source was checked; it is not a claim that the substance does not exist elsewhere.
Retrieved from NIH PubChem on 2026-08-31 by checksum-valid CAS matching. Chemical properties do not replace the regulatory decision on this page.