3-Heptanone Chemical Properties

Melting point:

-39 °C (lit.)

Boiling point:

146-149 °C (lit.)

Density 

0.818 g/mL at 25 °C (lit.)

vapor pressure 

1.4 at 25 °C (quoted, Verschueren, 1983)

FEMA 

2545 | 3-HEPTANONE

refractive index 

n20/D 1.408(lit.)

Flash point:

106 °F

storage temp. 

Flammables area

solubility 

4.3g/l

form 

Liquid

color 

Clear slightly yellow

Odor

at 1.00 % in dipropylene glycol. powerful green fatty fruity

Odor Type

green

Water Solubility 

3.3 g/L (20 ºC)

JECFA Number

285

BRN 

506161

Henry's Law Constant

4.38 x 10^-4(atm?m³/mol) at 37 °C (static headspace-GC, Bylaite et al., 2004)

Dielectric constant

12.9（22℃）

Exposure limits

TLV-TWA 230 mg/m³ (50 ppm) (ACGIH); IDLH 3000 ppm (NIOSH). .

Stability:

Stable. Flammable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents. May form peroxides in storage if in contact with air - store under inert gas.

LogP

1.97

CAS DataBase Reference

106-35-4(CAS DataBase Reference)

NIST Chemistry Reference

3-Heptanone(106-35-4)

EPA Substance Registry System

3-Heptanone (106-35-4)

Safety Information

Hazard Codes 

Xn,Xi

Risk Statements 

22-38-40-48/20/22-36-20-10

Safety Statements 

36-24-36/37-24/25

RIDADR 

UN 2810 6.1/PG 3

OEB

A

OEL

TWA: 50 ppm (230 mg/m3)

WGK Germany 

2

RTECS 

MJ5250000

Hazard Note 

Irritant

TSCA 

Yes

HazardClass 

3

PackingGroup 

III

HS Code 

29141990

Hazardous Substances Data

106-35-4(Hazardous Substances Data)

Toxicity

Acute oral LD50 for rats 2,760 mg/kg (quoted, RTECS, 1985).

IDLA

1,000 ppm

MSDS

• Language:English Provider:3-Heptanone
• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

3-Heptanone Usage And Synthesis

Description

3-Heptanone has a powerful, green, fatty, fruity odor and a melon, banana flavor. Prepared from n-hept-2-one by hydration.

Chemical Properties

3-Heptanone has a fruity, green, fatty, sweet, ethereal, powerful odor and a melon, banana favor.

Chemical Properties

colourless liquid

Chemical Properties

Ethyl butyl ketone is a colorless liquid with a powerful, fruity odor.

Occurrence

Reported found in apple juice, banana, peach, pear, spearmint oil, Parmesan cheese, butter, cream, lean fsh, fsh oil, roasted chicken, cooked beef, coffee, peanut oil, pecan, yellow passion fruit, plumcot, beans, plum brandy, sesame seed, mango and cooked shrimps

Uses

Ethyl butyl ketone is used as a solvent fornitrocellulose and polyvinyl resins, and as anintermediate in organic synthesis.

Uses

Solvent and intermediate for organic materials

Uses

3-Heptanone is a seven carbon ketone with a "fruity" scent. It is often used as a perfume/fragrance industry and can also be applied as a solvent.

Uses

Solvent mix for air-dried and baked finishes, for polyvinyl and nitrocellulose resins.

Definition

ChEBI: A dialkyl ketone with butyl and ethyl as the two alkyl groups.

Preparation

From n-hept-2-one by hydration.

Production Methods

EnBK is produced either by catalytic dehydrogenation of 3-heptanol or by hydrogenation of the mixed alcohol condensation product of propionaldehyde and methyl ethyl ketone. Commercial samples can be 95% pure.

Aroma threshold values

Detection: 7 5 to 160 ppb.

Taste threshold values

Taste characteristics at 50 ppm: ketonic, with a cheese-like creamy character.

Synthesis Reference(s)

Journal of the American Chemical Society, 94, p. 1788, 1972 DOI: 10.1021/ja00760a084
Tetrahedron Letters, 23, p. 2379, 1982 DOI: 10.1016/S0040-4039(00)87347-5
Synthetic Communications, 22, p. 1589, 1992 DOI: 10.1080/00397919208021632

General Description

Colorless odorless liquid with a mild fruity odor. Flash point 140°F.

Air & Water Reactions

Flammable.

Reactivity Profile

3-Heptanone is reactive with many acids and bases liberating heat and flammable gases (e.g., H2). The amount of heat may be sufficient to start a fire in the unreacted portion. Reacts with reducing agents such as hydrides, alkali metals, and nitrides to produce flammable gas (H2) and heat. Incompatible with isocyanates, aldehydes, cyanides, peroxides, and anhydrides. May react violently with aldehydes, HNO3, HNO3 + H2O2, and HClO4. Irritating vapors and toxic gases may be formed when involved in fire [USCG, 1999].

Hazard

Moderate fire risk.

Health Hazard

Short term exposure can cause irritation of eyes, nose, throat and lungs. High concentrations may cause headache, dizziness or unconsciousness.

Health Hazard

Inhalation of the vapor of ethyl butyl ketonecan cause irritation to the eyes, skin, andmucous membranes. Its irritation effect wasmild on rabbit skin and eyes. Prolonged skincontact can cause dermatitis. Exposure to4000 ppm for 4 hours proved fatal to rats.Ingestion can cause headache and narcosis,and in large doses coma can occur.
LD50 value, oral (rats): 2760 mg/kg.

Fire Hazard

Special Hazards of Combustion Products: Irritating vapors and toxic gases, such as carbon dioxide and carbon monoxide, may be formed when involved in fire.

Safety Profile

Moderately toxic by ingestion and inhalation. A skin and eye irritant. A flammable liquid. Can react with oxidizing materials. To fight fire, use foam, Co2, dry chemical. See also KETONES.

Potential Exposure

Ethyl butyl ketone is used as a solvent and as an intermediate in organic synthesis. It is a solvent for vinyl and nitrocellulose resins. It is used in food flavoring

First aid

If this chemical gets into the eyes, remove anycontact lenses at once and irrigate immediately for at least15 min, occasionally lifting upper and lower lids. Seek medical attention immediately. If this chemical contacts theskin, remove contaminated clothing and wash immediatelywith soap and water. Seek medical attention immediately. Ifthis chemical has been inhaled, remove from exposure,begin rescue breathing (using universal precautions, including resuscitation mask) if breathing has stopped and CPR ifheart action has stopped. Transfer promptly to a medicalfacility. When this chemical has been swallowed, get medical attention. Give large quantities of water and inducevomiting. Do not make an unconscious person vomit

Environmental Fate

Chemical/Physical. 3-Heptanone will not hydrolyze because it has no hydrolyzable functional group.

Solubility in organics

Insoluble in water, soluble in alcohol, miscible with oils.

storage

Color Code—Red: Flammability Hazard: Store ina flammable liquid storage area or approved cabinet awayfrom ignition sources and corrosive and reactive materials.Prior to working with this chemical you should be trained onits proper handling and storage. Ethyl butyl ketone must bestored to avoid contact with oxidizers, such as peroxides,chlorates, perchlorates, permanganates, and nitrates, becauseviolent reactions occur. Store in tightly closed containers ina cool, well-ventilated area away from heat. Sources of ignition, such as smoking and open flames, are prohibited whereethyl butyl ketone is used, handled, or stored in a mannerthat could create a potential fire or explosion hazard

Shipping

UN1224 Ketones, liquid, n.o.s., Hazard Class: 3; Labels: 3-Flammable liquid, Technical Name Required.

Incompatibilities

May form explosive mixture with air. Violent reaction with strong oxidizers, acetaldehyde, perchloric acid. Attacks some plastics, rubber and coatings

Waste Disposal

Dissolve or mix the material with a combustible solvent and burn in a chemical incinerator equipped with an afterburner and scrubber. All federal, state, and local environmental regulations must be observed

3-Heptanone(106-35-4)Related Product Information

• Ethanol
• 2-Butanone oxime
• Butyl acetate
• Cyhalofop-butyl
• Ethylparaben
• ISOXADIFEN-ETHYL
• Ethyl acetate
• 6-Methyl-5-hepten-2-one
• Buprofezin
• 5-Nonanone
• 2-Butanone
• 17alpha-Ethynyl-19-nortestosterone 17-heptanoate
• Methoxydiethylborane
• 2,6-Dimethyl-4-heptanone, remainder mainly 4,6-dimethyl-2-heptanone, tech., 80%
• 4-heptanone, dipropylketone, butyron
• Cyclopentadecanone
• ALPHA-(-)-THUJONE
• L(-)-Carvone