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3-Heptanone

CAS No.106-35-4
Chemical Name:3-Heptanone
CBNumber:CB0852672
Molecular Formula:C7H14O
Formula Weight:114.19
MOL File:106-35-4.mol

3-Heptanone Property

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
biological source synthetic
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)
Exposure limits TLV-TWA 230 mg/m³ (50 ppm) (ACGIH); IDLH 3000 ppm (NIOSH). .
Dielectric constant 12.9（22℃）
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
Substances Added to Food (formerly EAFUS) 3-HEPTANONE
CAS DataBase Reference 106-35-4(CAS DataBase Reference)
EWG's Food Scores 1
FDA UNII 10GA6SR3AT
NIST Chemistry Reference 3-Heptanone(106-35-4)
EPA Substance Registry System 3-Heptanone (106-35-4)
UNSPSC Code 85151701
NACRES NA.24

Safety

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

NFPA 704:

	2
2		0

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordWarning
Hazard statements H226-H315-H319-H332
Precautionary statements P210-P233-P240-P303+P361+P353-P304+P340+P312-P305+P351+P338

3-Heptanone Price More Price(7)

Brand: Sigma-Aldrich(India)
Product number: W254509
Product name : 3-Heptanone
Purity: 96%
Packaging: 1SAMPLE-K
Price: ₹5141.88
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: W254509
Product name : 3-Heptanone
Purity: 96%
Packaging: 1KG
Price: ₹35105.48
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: H6511
Product name : 3-Heptanone
Purity: 98%
Packaging: 250ML
Price: ₹11561.1
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: H6511
Product name : 3-Heptanone
Purity: 98%
Packaging: 1L
Price: ₹43992.8
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: 90046
Product name : 3-Heptanone
Purity: analytical standard
Packaging: 1ML
Price: ₹8064.63
Updated: 2022/06/14
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3-Heptanone Chemical Properties,Usage,Production

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 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.
Uses Ethyl butyl ketone is used as a solvent fornitrocellulose and polyvinyl resins, and as anintermediate in organic synthesis.
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.
Preparation From n-hept-2-one by hydration.
Definition ChEBI: A dialkyl ketone with butyl and ethyl as the two alkyl groups.
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