4-Heptanone

0.82 (NIOSH, 2024) - Less dense than water; will float

0.8174 g/cu cm at 20 °C

Bulk density: 6.79 lb/gal at 20 °C

Relative density (water = 1): 0.8

0.814-0.817 (20 °C)

0.82

Insoluble (NIOSH, 2024)

Miscible with ethanol, ethyl ether; very soluble in ligroin

Soluble in carbon tetrachloride

In water, 3.19X10+3 mg/L at 25 °C

3.2 mg/mL at 25 °C

Solubility in water at 20 °C: very poor

120 °F (NIOSH, 2024)

120 °F

48.89 °C (closed cup)

49 °C

120 °F

120 °F

291 °F at 760 mmHg (NIOSH, 2024)

144 °C

144.00 to 145.00 °C. @ 760.00 mm Hg

144-146 °C

144-145 °C

291 °F

Hazardous decomposition products formed under fire conditions. - Carbon oxides.

When heated to decomposition it emits acrid smoke and fumes.

-27 °F (NIOSH, 2024)

-33 °C

-34 °C

-33 °C

-27 °F

-32.6 °C

3.93 (Air = 1)

Relative vapor density (air = 1): 3.9

Warning

H226: Flammable liquid and vapor [Warning Flammable liquids]；H332: Harmful if inhaled [Warning Acute toxicity, inhalation]

P210, P233, P240, P241, P242, P243, P261, P271, P280, P303+P361+P353, P304+P340, P317, P370+P378, P403+P235, and P501 (click each P-code to see the statement)

This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1945) of reports.

Chemical: 4-Heptanone

4-Heptanone is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4-Heptanone are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 10-03-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19258

4-Heptanone: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:；HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames. Vapors may form explosive mixtures with air. Vapors may travel to source of ignition and flash back. Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.). Vapor explosion hazard indoors, outdoors or in sewers. Those substances designated with a (P) may polymerize explosively when heated or involved in a fire. Runoff to sewer may create fire or explosion hazard. Containers may explode when heated. Many liquids will float on water. Substance may be transported hot. For hybrid vehicles, ERG Guide 147 (lithium ion or sodium ion batteries) or ERG Guide 138 (sodium batteries) should also be consulted. If molten aluminum is involved, refer to ERG Guide 169. (ERG, 2024)

· HIGHLY FLAMMABLE: Will be easily ignited by heat, sparks or flames.；· Vapors may form explosive mixtures with air.；· Vapors may travel to source of ignition and flash back.；· Most vapors are heavier than air. They will spread along the ground and collect in low or confined areas (sewers, basements, tanks, etc.).；· Vapor explosion hazard indoors, outdoors or in sewers.；· Those substances designated with a (P) may polymerize explosively when heated or involved in a fire.；· Runoff to sewer may create fire or explosion hazard.；· Containers may explode when heated.；· Many liquids will float on water.；· Substance may be transported hot.；· For hybrid vehicles, GUIDE 147 (lithium ion or sodium ion batteries) or GUIDE 138 (sodium batteries) should also be consulted.；· If molten aluminum is involved, refer to GUIDE 169.

Flammable. Above 49 °C explosive vapour/air mixtures may be formed.

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:；CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas. Inhalation or contact with material may irritate or burn skin and eyes. Fire may produce irritating, corrosive and/or toxic gases. Vapors may cause dizziness or asphyxiation, especially when in closed or confined areas. Runoff from fire control or dilution water may cause environmental contamination. (ERG, 2024)

CAUTION: Petroleum crude oil (UN1267) may contain TOXIC hydrogen sulphide gas.；· Inhalation or contact with material may irritate or burn skin and eyes.；· Fire may produce irritating, corrosive and/or toxic gases.；· Vapors may cause dizziness or asphyxiation, especially when in closed or confined areas.；· Runoff from fire control or dilution water may cause environmental contamination.

2710 128

2710 128

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:；CAUTION: The majority of these products have a very low flash point. Use of water spray when fighting fire may be inefficient. CAUTION: For mixtures containing alcohol or polar solvent, alcohol-resistant foam may be more effective.；SMALL FIRE: Dry chemical, CO2, water spray or regular foam. If regular foam is ineffective or unavailable, use alcohol-resistant foam.；LARGE FIRE: Water spray, fog or regular foam. If regular foam is ineffective or unavailable, use alcohol-resistant foam. Avoid aiming straight or solid streams directly onto the product. If it can be done safely, move undamaged containers away from the area around the fire.；FIRE INVOLVING TANKS, RAIL TANK CARS OR HIGHWAY TANKS: Fight fire from maximum distance or use unmanned master stream devices or monitor nozzles. Cool containers with flooding quantities of water until well after fire is out. For petroleum crude oil, do not spray water directly into a breached tank car. This can lead to a dangerous boil over. Withdraw immediately in case of rising sound from venting safety devices or discoloration of tank. ALWAYS stay away from tanks in direct contact with flames. For massive fire, use unmanned master stream devices or monitor nozzles; if this is impossible, withdraw from area and let fire burn. (ERG, 2024)

Use alcohol-resistant foam, dry powder, carbon dioxide. In case of fire: keep drums, etc., cool by spraying with water.

Fresh air, rest. Refer for medical attention.

Rinse skin with plenty of water or shower.

First rinse with plenty of water for several minutes (remove contact lenses if easily possible), then refer for medical attention.

Rinse mouth. Refer for medical attention .

· CALL 911. Then call emergency response telephone number on shipping paper. If shipping paper not available or no answer, refer to appropriate telephone number listed on the inside back cover.；· Keep unauthorized personnel away.；· Stay upwind, uphill and/or upstream.；· Ventilate closed spaces before entering, but only if properly trained and equipped.

· ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area.；· All equipment used when handling the product must be grounded.；· Do not touch or walk through spilled material.；· Stop leak if you can do it without risk.；· Prevent entry into waterways, sewers, basements or confined areas.；· A vapor-suppressing foam may be used to reduce vapors.；· Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers.；· Use clean, non-sparking tools to collect absorbed material.；Large Spill；· Dike far ahead of liquid spill for later disposal.；· Water spray may reduce vapor, but may not prevent ignition in closed spaces.

Excerpt from NIOSH Pocket Guide for Dipropyl ketone:；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 WASH - If this chemical contacts the skin, wash the contaminated skin with soap and water.；Breathing: RESPIRATORY SUPPORT - If a person breathes large amounts of this chemical, move the exposed person to fresh air at once. If breathing has stopped, perform artificial respiration. Keep the affected person warm and at rest. Get medical attention as soon as possible.；Swallow: MEDICAL ATTENTION IMMEDIATELY - If this chemical has been swallowed, get medical attention immediately. (NIOSH, 2024)

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, or skin contact) to substance may be delayed.；· Keep victim calm and warm.；· Keep victim under observation.；· For further assistance, contact your local Poison Control Center.；· Note: Basic Life Support (BLS) and Advanced Life Support (ALS) should be done by trained professionals.；Specific First Aid:；· Wash skin with soap and water.

(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 wash - If this chemical contacts the skin, wash the contaminated skin with soap and water.；Breathing: Respiratory support；Swallow: Medical attention immediately - If this chemical has been swallowed, get medical attention immediately.

If material on fire or involved in fire: Do not extinguish fire unless flow can be stopped. Use water in flooding quantities as fog. Solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Apply water from as far a distance as possible. Use foam, dry chemical, or carbon dioxide. Keep run-off water out of sewers and water sources.

Personnel protection: Wear appropriate chemical protective gloves, boots, and goggles. Wear positive pressure self-contained breathing apparatus when fighting fires involving this material. If contact with the material anticipated, wear appropriate chemical protective clothing.

Carbon dioxide, dry chemical, alcohol foam, fog, and mist.

Suitable extinguishing media: For small (incipient) fires, use media such as "alcohol" foam, dry chemical, or carbon dioxide. For large fires, apply water from as far as possible. Use very large quantities (flooding) of water applied as a mist or spray; solid streams of water may be ineffective. Cool all affected containers with flooding quantities of water. Special protective equipment for fire-fighters: Wear self contained breathing apparatus for fire fighting if necessary. Use water spray to cool unopened containers.

Personal precautions: Use personal protective equipment. Avoid breathing vapors, mist or gas. Ensure adequate ventilation. Remove all sources of ignition. Beware of vapors accumulating to form explosive concentrations. Vapors can accumulate in low areas. Environmental precautions: Do not let product enter drains. Methods and materials for containment and cleaning up: Contain spillage, and then collect with non-combustible absorbent material, (e.g. sand, earth, diatomaceous earth, vermiculite) and place in container for disposal according to local / national regulations. Keep in suitable, closed containers for disposal.

Excerpt from ERG Guide 128 [Flammable Liquids (Water-Immiscible)]:；ELIMINATE all ignition sources (no smoking, flares, sparks or flames) from immediate area. All equipment used when handling the product must be grounded. Do not touch or walk through spilled material. Stop leak if you can do it without risk. Prevent entry into waterways, sewers, basements or confined areas. A vapor-suppressing foam may be used to reduce vapors. Absorb or cover with dry earth, sand or other non-combustible material and transfer to containers. Use clean, non-sparking tools to collect absorbed material.；LARGE SPILL: Dike far ahead of liquid spill for later disposal. Water spray may reduce vapor, but may not prevent ignition in closed spaces. (ERG, 2024)

SRP: The most favorable course of action is to use an alternative chemical product with less inherent propensity for occupational harm/injury/toxicity or environmental contamination. Recycle any unused portion of the material for its approved use or return it to the manufacturer or supplier. Ultimate disposal of the chemical must consider: the material's impact on air quality; potential migration in soil or water; effects on animal and plant life; and conformance with environmental and public health regulations.

SRP: Wastewater from contaminant suppression, cleaning of protective clothing/equipment, or contaminated sites should be contained and evaluated for subject chemical or decomposition product concentrations. Concentrations shall be lower than applicable environmental discharge or disposal criteria. Alternatively, pretreatment and/or discharge to a permitted wastewater treatment facility is acceptable only after review by the governing authority and assurance that "pass through" violations will not occur. Due consideration shall be given to remediation worker exposure (inhalation, dermal and ingestion) as well as fate during treatment, transfer and disposal. If it is not practicable to manage the chemical in this fashion, it must be evaluated in accordance with EPA 40 CFR Part 261, specifically Subpart B, in order to determine the appropriate local, state and federal requirements for disposal.

Personal protection: filter respirator for organic gases and vapours adapted to the airborne concentration of the substance. Remove all ignition sources. Ventilation. Collect leaking and spilled liquid in sealable containers as far as possible. Absorb remaining liquid in sand or inert absorbent. Then store and dispose of according to local regulations.

Dipropyl ketone was detected in 12.4% of 387 samples of expired air collected from 54 individuals in Chicago, IL with a reported geometric mean concentration of 0.074 ng/L(1). Dipropyl ketone was detected in 35 out of 46 composite samples from the US EPA 1982 National Human Adipose Tissue Survey (NHATS) repository. Dipropyl ketone was detected in samples corresponding to all age groups and geographic regions(2). The reported concentration of dipropyl ketone ranged from 27 to 1044 ng/mL (median = 188 ng/mL)in the urine of 51 healthy individuals and from 17 to 978 ng/mL (median = 179 ng/mL) in 92 diabetic patients(3). During a study of the occurrence of volatile organic compounds in human milk samples from five industrial US cities, dipropyl ketone was detected in one milk sample collected in Jersey City, NJ(4,5).

TERRESTRIAL FATE: Based on a classification scheme(1), an estimated Koc value of 178(SRC), determined from a log Kow of 2.04(2) and a regression-derived equation(3), indicates that dipropyl ketone is expected to have moderate mobility in soil(SRC). Volatilization of dipropyl ketone from moist soil surfaces is expected to be an important fate process(SRC) given an estimated Henry's Law constant of 2.4X10-4 atm-cu m/mole(SRC), derived from its vapor pressure, 5.2 mm Hg at 20 °C(4), and water solubility, 3.19X10+3 mg/L (5). Dipropyl ketone is expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(4). Limited biodegradation data are available for dipropyl ketone(SRC, 2011); however, as a group n-alkyl ketones are reported to be susceptible to microbial degradation(6).

AQUATIC FATE: Based on a classification scheme(1), an estimated Koc value of 178(SRC), determined from a log Kow of 2.04(2) and a regression-derived equation(3), indicates that dipropyl ketone is expected to adsorb very little to suspended solids and sediment(SRC). Volatilization from water surfaces is expected(4) based upon an estimated Henry's Law constant of 2.4X10-4 atm-cu m/mole(SRC), derived from its vapor pressure, 5.2 mm Hg at 20 °C(5), and water soubility, 3.19X10+3 mg/L(6). Using this Henry's Law constant and an estimation method(4), volatilization half-lives for a model river and model lake are 3.7 hours and 5.4 days, respectively(SRC). According to a classification scheme(7),an estimated BCF of 9.7(SRC), from its log Kow(2) and a regression-derived equation(3), suggests the potential for bioconcentration in aquatic organisms is low(SRC). Limited biodegradation data are available for dipropyl ketone(SRC, 2011); however, as a group n-alkyl ketones are reported to be susceptible to microbial degradation(8).

ATMOSPHERIC FATE: According to a model of gas/particle partitioning of semivolatile organic compounds in the atmosphere(1), dipropyl ketone, which has a vapor pressure of 5.2 mm Hg at 20 °C(2), is expected to exist solely as a vapor in the ambient atmosphere. Vapor-phase dipropyl ketone is degraded in the atmosphere by reaction with photochemically-produced hydroxyl radicals(SRC); the half-life for this reaction in air is estimated to be 1.7 days(SRC), calculated from its rate constant of 9.3X10-12 cu cm/molecule-sec at 25 °C(SRC) that was derived using a structure estimation method(3). The maximum UV absorption of dipropyl ketone occurs near 280 nm(4), and the absorption spectrum is expected to extend beyond 290 nm; therefore, this substance may be susceptible to direct photolysis by sunlight(SRC).

Neurotoxin - Acute solvent syndrome；Occupational hepatotoxin - Secondary hepatotoxins: the potential for toxic effect in the occupational setting is based on cases of poisoning by human ingestion or animal experimentation.；Dermatotoxin - Skin burns.

The substance can be absorbed into the body by inhalation of its vapour and by ingestion.

inhalation, ingestion, skin and/or eye contact

Cough. Sore throat. Drowsiness. Lethargy. Headache.

Redness. Dry skin.

Redness.

Nausea. Vomiting. Diarrhoea. Dizziness. Drowsiness.

irritation eyes, skin; central nervous system depression, dizziness, drowsiness, decreased breath; In Animals: liver injury; narcosis

The Koc of dipropyl ketone is estimated as 178(SRC), using a log Kow of 2.04(1) and a regression-derived equation(2). According to a classification scheme(3), this estimated Koc value suggests that dipropyl ketone is expected to have moderate mobility in soil.

Dipropyl ketone's production and use as a solvent for nitrocellulose, raw and blown oils, resins, and polymers and in the production of lacquers and flavoring(1) may result in its release to the environment through various waste streams(SRC).

AEROBIC: Dipropyl ketone, present at 500 mg/L, in a Warburg repirometry flask containing 20 mL activated sludge suspension with a suspended solids concentration of 2,500 mg/L, reached 3.8% of the theoretical oxygen demand after 24 hours(1,2). Additional biodegradation data for dipropyl ketone were not located; however, as a group n-alkyl ketones are reported to be susceptible to microbial degradation(3).

An estimated BCF of 9.7 was calculated in fish for dipropyl ketone(SRC), using a log Kow of 2.04(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).

Chemical: 4-Heptanone

4-Heptanone is listed on the EPA's Chemical Data Reporting (CDR) system. Manufacturers and importers of 4-Heptanone are required to report information about their production and use of this chemical to the EPA under the Toxic Substances Control Act (TSCA). (40 eCFR Part 711)

Status: Active Update: 10-03-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/19258

4-Heptanone: Does not have an individual approval but may be used under an appropriate group standard

The New Jersey Worker and Community Right to Know Act requires public and private employers to provide information about hazardous substances at their workplaces. (N.J.S.A. 34:5A-1 et. seq.)

... After establishing analytical methods for all postulated metabolites, /the authors/ analyzed (i) plasma samples from 50 patients on haemodialysis and 50 controls; (ii) urine samples from 100 diabetic patients and 100 controls; and (iii) urine samples from 10 controls receiving DEHP intravenously. 4-Heptanone concentrations in urine did not differ between controls (128.6+/-11.4 ug/L, mean+/- SEM) and diabetic patients (131.2+/-11.6 ug/L) but were significantly elevated in plasma from hemodialysis patients (95.9+/-9.6 ug/L) compared with controls (10.4+/-0.5 ug/L). Exposure to DEHP led to a significant increase (P<0.001) of the metabolite 4-heptanone and all the proposed intermediates in urine of healthy persons within 24 hr. CONCLUSIONS: These studies show that 4-heptanone is not associated with diabetes but is a major DEHP metabolite in humans...

2-Ethylhexanol was efficiently absorbed following oral administration to rats. Carbon-14 associated with 2-ethyl(1-14C)hexanol was rapidly excreted in respiratory CO2 (6-7%), feces (8-9%) and urine (80-82%), with essentially complete elimination by 28 hr after administration. The amount of label recovered in (14)CO2 matched the amount of unlabelled 2-heptanone plus 4-heptanone recovered from urine, suggesting that both types of metabolite may have been derived form the major urinary metabolite, 2-ethylhexanoic acid, by decarboxylation following partial beta-oxidation...

Used as a solvent for organic chemicals and surface coatings; [ACGIH]

Painting (Solvents) [Category: Paint]

Solvent for nitrocellulose, raw and blown oils, resins, and polymers; lacquers; flavoring.

2023: 75,000 - <500,000 lb；2022: 1,000,000 - <8,500,000 lb；2021: 1,000,000 - <8,500,000 lb；2020: 500,000 - <1,000,000 lb

Production volumes for non-confidential chemicals reported under the Inventory Update Rule. [Table#7740]

Production volume for non-confidential chemicals reported under the 2006 Inventory Update Rule. Chemical: 4-Heptanone. Aggregated National Production Volume: 1 to < 10 million lbs.

Fragrance Ingredients

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

Flavoring Agents -> JECFA Flavorings Index

Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes

All Other Basic Organic Chemical Manufacturing

4-Heptanone: ACTIVE

Made by passing butyric acid over precipitated CaCO3 at 450 °C.