
Pentanal
Pentanal is a saturated fatty aldehyde composed from five carbons in a straight chain. It has a role as a plant metabolite. — ChEBI
- IUPAC name
- pentanal
- Molecular formula
- C5H10O
- Molecular weight
- 86.13 g/mol
- Exact mass
- 86.073164938 Da
- XLogP3
- 1.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen-bond donors
- 0
- Hydrogen-bond acceptors
- 1
- Covalent units
- 1
- Defined stereocentres
- 0
Also known as
16 more reported names
External database identifiers
- ChEBI:CHEBI:84069
- ChEMBL:CHEMBL18602
- EPA DTXSID:DTXSID7021653
- PubMed:30002397
- PubMed:26079696
- PubMed:25014914
- PubMed:23065996
- PubMed:23017416
- PubMed:22945550
- PubMed:22944680
- PubMed:22900060
- PubMed:22888528
- PubMed:22860577
- PubMed:22806075
- PubMed:22645577
Evidence from additional scientific databases
NIH PubChem PUG-View
Attributed physical-property, hazard, environmental and use annotations.
- Autoignition Temperature: 432 °F (222 °C) Source: Hazardous Substances Data Bank (HSDB)
- Autoignition Temperature: 222 °C Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Boiling Point: 216 to 217 °F at 760 mmHg (NTP, 1992) Source: CAMEO Chemicals
- Boiling Point: 103 °C Source: DrugBank
- Boiling Point: 103 °C Source: Hazardous Substances Data Bank (HSDB)
- Boiling Point: 102.00 to 103.00 °C. @ 760.00 mm Hg Source: Human Metabolome Database (HMDB)
- Boiling Point: 103 °C Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Boiling Point: 103 °C Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Boiling Point: 217 °F Source: Occupational Safety and Health Administration (OSHA)
- Boiling Point: 217 °F Source: The National Institute for Occupational Safety and Health (NIOSH)
- Color/Form: Liquid Source: Hazardous Substances Data Bank (HSDB)
- Color/Form: Colorless liquid Source: Hazardous Substances Data Bank (HSDB)
- Density: 0.811 at 68 °F (USCG, 1999) - Less dense than water; will float Source: CAMEO Chemicals
- Density: 0.8095 g/cu cm at 20 °C Source: Hazardous Substances Data Bank (HSDB)
- Density: Relative density (water = 1): 0.8 Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Density: 0.805-0.809 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Density: 0.811 Source: Occupational Safety and Health Administration (OSHA)
- Density: 0.81 Source: The National Institute for Occupational Safety and Health (NIOSH)
- Flash Point: 53.6 °F (NTP, 1992) Source: CAMEO Chemicals
- Flash Point: 12 °C Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Flash Point: 53.6 °F (Closed cup) Source: Hazardous Substances Data Bank (HSDB)
- Flash Point: 54 °F (12 °C) open cup Source: Hazardous Substances Data Bank (HSDB)
- Flash Point: 12 °C o.c. Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Flash Point: 53.6 °F Source: Occupational Safety and Health Administration (OSHA)
- Flash Point: 54 °F Source: The National Institute for Occupational Safety and Health (NIOSH)
- LogP: 1.31 Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Melting Point: -132.7 °F (NTP, 1992) Source: CAMEO Chemicals
- Melting Point: -91.5 °C Source: DrugBank
- Melting Point: -91.5 °C Source: Hazardous Substances Data Bank (HSDB)
- Melting Point: -92 °C Source: Human Metabolome Database (HMDB)
- Melting Point: -91 °C Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Melting Point: -132.7 °F Source: Occupational Safety and Health Administration (OSHA)
- Melting Point: -133 °F Source: The National Institute for Occupational Safety and Health (NIOSH)
- Odor: POWERFUL, ACRID, PUNGENT ODOR Source: Hazardous Substances Data Bank (HSDB)
- Odor: Strong, acrid, pungent odor Source: Hazardous Substances Data Bank (HSDB)
- Physical Description: Valeraldehyde appears as a colorless liquid. Slightly soluble in water and less dense than water. Flash point 54 °F. Vapors heavier than air. Used to make artificial flavorings and rubber. Source: CAMEO Chemicals
- Physical Description: Liquid Source: EPA Chemical Data Reporting (CDR)
- Physical Description: Colorless liquid with a strong, acrid, pungent odor; [NIOSH] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Physical Description: Liquid Source: Human Metabolome Database (HMDB)
- Physical Description: COLOURLESS LIQUID WITH CHARACTERISTIC ODOUR. Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Physical Description: colourless to pale yellow liquid Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Physical Description: Colorless liquid with a strong, acrid, pungent odor. Source: Occupational Safety and Health Administration (OSHA)
- Physical Description: Colorless liquid with a strong, acrid, pungent odor. Source: The National Institute for Occupational Safety and Health (NIOSH)
- Refractive Index: Index of refraction = 1.3944 at 20 °C/D Source: Hazardous Substances Data Bank (HSDB)
- Refractive Index: Index of refraction = 1.3942 at 20 °C Source: Hazardous Substances Data Bank (HSDB)
- Refractive Index: 1.390-1.395 Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: less than 1 mg/mL at 68 °F (NTP, 1992) Source: CAMEO Chemicals
- Solubility: 11700 mg/L (at 25 °C) Source: DrugBank
- Solubility: Soluble in ethanol, ethyl ether Source: Hazardous Substances Data Bank (HSDB)
- Solubility: SOL IN PROPYLENE GLYCOL; OILS Source: Hazardous Substances Data Bank (HSDB)
- Solubility: 1.35% in water Source: Hazardous Substances Data Bank (HSDB)
- Solubility: In water, 1.17X10+4 mg/L at 20 °C Source: Hazardous Substances Data Bank (HSDB)
- Solubility: 11.7 mg/mL at 25 °C Source: Human Metabolome Database (HMDB)
- Solubility: Solubility in water, g/100ml at 20 °C: 1.4 (moderate) Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Solubility: 1 ml in 1 ml 95% alcohol (in ethanol) Source: Joint FAO/WHO Expert Committee on Food Additives (JECFA)
- Solubility: Slight Source: The National Institute for Occupational Safety and Health (NIOSH)
- Vapor Pressure: 50 mmHg at 77 °F (NTP, 1992) Source: CAMEO Chemicals
- Vapor Pressure: 26.0 [mmHg] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Vapor Pressure: 26 mm Hg at 20 °C Source: Hazardous Substances Data Bank (HSDB)
- Vapor Pressure: Vapor pressure, kPa at 20 °C: 3.4 Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Vapor Pressure: 26 mmHg Source: Occupational Safety and Health Administration (OSHA)
- Vapor Pressure: 26 mmHg Source: The National Institute for Occupational Safety and Health (NIOSH)
- Viscosity: 0.54 mPa-s at 20 °C Source: Hazardous Substances Data Bank (HSDB)
- Exposure Routes: The substance can be absorbed into the body by inhalation of its vapour. Source: ILO-WHO International Chemical Safety Cards (ICSCs)
- Exposure Routes: inhalation, ingestion, skin and/or eye contact Source: The National Institute for Occupational Safety and Health (NIOSH)
- 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 (Valeraldehyde): 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)
- First Aid: (General first aid procedures); Eye: Irrigate immediately - If this chemical contacts the eyes, immediately wash (irrigate) the eyes with large amounts of water, occasionally lifting the lower and upper lids. Get medical attention immediately.; Skin: Soap flush immediately - If this chemical contacts the skin, immediately flush the contaminated skin with soap and water. If this chemical penetrates the clothing, immediately remove the clothing and flush the skin with water. If irritation persists after washing, get medical attention.; Breathing: Respiratory support; Swallow: Medical attention immediately - If this chemical has been swallowed, get medical attention immediately. Source: The National Institute for Occupational Safety and Health (NIOSH)
- Signal: Danger Source: European Chemicals Agency (ECHA)
- GHS Hazard Statements: H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]; H315 (25.5%): Causes skin irritation [Warning Skin corrosion/irritation]; H317 (74.9%): May cause an allergic skin reaction [Warning Sensitization, Skin]; H319 (97.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (97.6%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (84.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] Source: European Chemicals Agency (ECHA)
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P272, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, 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 1939 reports by companies from 25 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: Danger Source: NITE-CMC
- GHS Hazard Statements: H225: Highly Flammable liquid and vapor [Danger Flammable liquids]; H314: Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]; H318: Causes serious eye damage [Danger Serious eye damage/eye irritation]; H332: Harmful if inhaled [Warning Acute toxicity, inhalation]; H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H336: May cause drowsiness or dizziness [Warning Specific target organ toxicity, single exposure; Narcotic effects]; H402: Harmful to aquatic life [Hazardous to the aquatic environment, acute hazard] Source: NITE-CMC
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement) Source: NITE-CMC
- GHS Hazard Statements: H225: Highly Flammable liquid and vapor [Danger Flammable liquids]; H303: May be harmful if swallowed [Warning Acute toxicity, oral]; H313: May be harmful in contact with skin [Warning Acute toxicity, dermal]; H315: Causes skin irritation [Warning Skin corrosion/irritation]; H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332: Harmful if inhaled [Warning Acute toxicity, inhalation]; H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] Source: NITE-CMC
- Precautionary Statement Codes: P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P317, P302+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement) Source: NITE-CMC
- Signal: Warning Source: Hazardous Chemical Information System (HCIS), Safe Work Australia
- GHS Hazard Statements: H315: Causes skin irritation [Warning Skin corrosion/irritation]; H317: May cause an allergic skin reaction [Warning Sensitization, Skin]; H319: Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332: Harmful if inhaled [Warning Acute toxicity, inhalation]; H335: May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] Source: Hazardous Chemical Information System (HCIS), Safe Work Australia
- Precautionary Statement Codes: P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement) Source: Hazardous Chemical Information System (HCIS), Safe Work Australia
- NFPA Health Rating: 2 - Materials that, under emergency conditions, can cause temporary incapacitation or residual injury. Source: Hazardous Substances Data Bank (HSDB)
- NFPA Fire Rating: 3 - Liquids and solids that can be ignited under almost all ambient temperature conditions. Materials produce hazardous atmospheres with air under almost all ambient temperatures or, though unaffected by ambient temperatures, are readily ignited under almost all conditions. Source: Hazardous Substances Data Bank (HSDB)
- NFPA Instability Rating: 0 - Materials that in themselves are normally stable, even under fire conditions. Source: Hazardous Substances Data Bank (HSDB)
- Target Organs: Eyes, skin, respiratory system Source: The National Institute for Occupational Safety and Health (NIOSH)
- Environmental Bioconcentration: An estimated BCF of 3 was calculated in fish for pentanal(SRC), using a water solubility of 1.17X10+4 mg/L(1) and a regression-derived equation(2). According to a classification scheme(3), this BCF suggests the potential for bioconcentration in aquatic organisms is low(SRC). Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 25(SRC), determined from a water solubility of 1.17X10+4 mg/L(2) and a regression-derived equation(3), indicates that pentanal is expected to have very high mobility in soil(SRC). Volatilization of pentanal from moist soil surfaces is expected to be an important fate process(SRC) given a Henry's Law constant of 1.47X10-4 atm-cu m/mole(4). Pentanal is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure of 26 mm Hg(5). In activated sludge from waste treatment plants in operation, pentanal had a theoretical oxygen demand of 17.8% after 24 hrs(6), suggesting that biodegradation may be an important fate process in soil(SRC). Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 25(SRC), determined from a water solubility of 1.17X10+4 mg/L(2) and a regression-derived equation(3), indicates that pentanal is not expected to adsorb to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(3) based upon a Henry's Law constant of 1.47X10-4 atm-cu m/mole(4). Using this Henry's Law constant and an estimation method(3), volatilization half-lives for a model river and model lake are 8 hours and 5 days, respectively(SRC). According to a classification scheme(5), an estimated BCF of 3(SRC), from its water solubility(2) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is low(SRC). In activated sludge from waste treatment plants in operation, pentanal had a theoretical oxygen demand of 17.8% after 24 hrs(6), suggesting biodegradation is an important environmental fate process in water(SRC). Pentanal is not expected to undergo hydrolysis in the environment due to the lack of functional groups that hydrolyze under environmental conditions(3). Source: Hazardous Substances Data Bank (HSDB)
- Environmental Fate: ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), pentanal, which has a vapor pressure of 26 mm Hg at 20 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase pentanal is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-lives for this reaction in air are estimated to be 14.6 and 13.5 hours(SRC), calculated from rate constants of 2.63X10-11(3) and 2.85X10-11(4) cu cm/molecule-sec at 25 °C, respectively. Vapor-phase pentanal is also degraded in the atmosphere by reaction with photochemically-produced nitrate radicals; the half-life for this reaction in air is estimated to be 49 hours(SRC), calculated from rate constant of 1.65X10-14 cu cm/sec(3). Pentanal contains chromophores that absorb at wavelengths >290 nm(5) and will undergo photodegradation to form propene, vinyl alcohol and ethanal(6). Source: Hazardous Substances Data Bank (HSDB)
- Industry Uses: Intermediate; Monomers Source: EPA Chemical Data Reporting (CDR)
- Sources/Uses: Used in flavors, resins, and rubber accelerators; [HSDB] Source: Haz-Map, Information on Hazardous Chemicals and Occupational Diseases
- Uses: Flavoring, rubber accelerators Source: Hazardous Substances Data Bank (HSDB)
- Uses: In flavoring compounds, resin chemistry, rubber accelerators. Source: Hazardous Substances Data Bank (HSDB)
- Uses: FLAVOR INGREDIENT FOR FOODS & BEVERAGES; MONOMER FOR ACETAL RESINS Source: Hazardous Substances Data Bank (HSDB)
- Uses: Reported uses (PPM): (FEMA, 2005); Table: Reported uses (ppm): (FEMA, 2005) [Table#2283] Source: Hazardous Substances Data Bank (HSDB)
- Uses: Synthetic flavoring material ... It is used as top note. /Top note gives identity to flavoring on first impression and produces fruit, nut flavor./ 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.