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4-Heptanone

Description References
4-Heptanone
4-Heptanone structure
CAS No.
123-19-3
Chemical Name:
4-Heptanone
Synonyms
dpk;JIK;-32℃;TAOK3;MAP3K18;143-145℃;FLJ31808;BUTYRONE;FEMA 2546;FEMA 2544
CBNumber:
CB4487971
Molecular Formula:
C7H14O
Formula Weight:
114.19
MOL File:
123-19-3.mol

4-Heptanone Properties

Melting point:
-33 °C (lit.)
Boiling point:
145 °C (lit.)
Density 
0.817 g/mL at 25 °C (lit.)
vapor density 
3.94 (vs air)
vapor pressure 
5.2 mm Hg ( 20 °C)
refractive index 
n20/D 1.408(lit.)
FEMA 
2546 | 4-HEPTANONE
Flash point:
120 °F
storage temp. 
Store below +30°C.
solubility 
H2O: insoluble
form 
Liquid
color 
Clear colorless to light yellow
explosive limit
1%(V)
Water Solubility 
4.6 g/L (20 ºC)
Merck 
14,3345
JECFA Number
287
BRN 
1699049
Exposure limits
TLV-TWA 235 mg/m3 (50 ppm) (NIOSH).
Stability:
Stable. Flammable. Incompatible with strong oxidizing agents, strong bases, strong reducing agents.
InChIKey
HCFAJYNVAYBARA-UHFFFAOYSA-N
CAS DataBase Reference
123-19-3(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS)
4-HEPTANONE
EWG's Food Scores
1
FDA UNII
9BN582JQ61
NIST Chemistry Reference
4-Heptanone(123-19-3)
EPA Substance Registry System
4-Heptanone (123-19-3)
SAFETY
  • Risk and Safety Statements
Symbol(GHS) 
GHS02,GHS07
Signal word  Warning
Hazard statements  H320-H335-H336-H226-H332
Precautionary statements  P280a-P304+P340-P501a-P210-P233-P240-P241+P242+P243-P261-P264-P271-P280-P303+P361+P353-P304+P340+P312-P305+P351+P338+P337+P313-P370+P378-P403+P233-P405-P501
Hazard Codes  Xn
Risk Statements  10-20/22-20-R20-R10-2017/10/20
Safety Statements  24/25-S24/25
RIDADR  UN 2710 3/PG 3
WGK Germany  2
RTECS  MJ5600000
Autoignition Temperature 430 °C
TSCA  Yes
HazardClass  3
PackingGroup  III
HS Code  29141900
Toxicity LD50 orally in Rabbit: 3021 mg/kg LD50 dermal Rabbit 4585 mg/kg
NFPA 704
2
1 0

4-Heptanone price More Price(28)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich W254606 4-Heptanone ≥97%,FG 123-19-3 1 SAMPLE $50 2021-12-16 Buy
Sigma-Aldrich 101745 4-Heptanone 98% 123-19-3 5ml $21 2021-12-16 Buy
Sigma-Aldrich 101745 4-Heptanone 98% 123-19-3 100ml $23.4 2021-12-16 Buy
Sigma-Aldrich 8.03505 4-Heptanone for synthesis 123-19-3 250 mL $98.05 2021-12-16 Buy
TCI Chemical H0039 4-Heptanone >97.0%(GC) 123-19-3 25mL $16 2021-12-16 Buy

4-Heptanone Chemical Properties,Uses,Production

Description

4-Heptanone is an organic ketone containing seven carbon atoms. It can be found in urine samples of human being. It arises from in vivo beta-oxidation of 2-ethylhexanoic acid (EHA) from plasticisers, which is similar to the formation of 3-heptanone from valproic acid. It is mainly used as the solvents of nitrocellulose, nitrocellulose paint and synthetic resin and as the raw materials of organic synthesis. It can also be used as a internal standard of gas chromatography-mass spectrometry for the analysis of 3-monochloro-1, 2-propane diol which is a potential carcinogen found in soy sauce. It can be synthesized during the reaction of 1-butanol over base catalysts such as MgO.

References

Walker V, and Mills GA. "Urine 4-heptanone: a beta-oxidation product of 2-ethylhexanoic acid from plasticisers. " Clinica Chimica Acta306.2(2001):51-61.
Dayrit, F. M., and M. R. Niñonuevo. "Development of an analytical method for 3-monochloropropane-1,2-diol in soy sauce using 4-heptanone as derivatizing agent." Food Additives & Contaminants 21.3(2004):204-9.
Plint, Neville, et al. "Catalysed synthesis of 4-heptanone from 1-butanol."Catalysis Today 49.1–3(1999):71-77.

Description

4-Heptanone has a penetrating odor and burning taste. It is prepared by passing butyric acid over a wood coal at 425°C and then over cerium oxide at 500°C or over thorium oxide; also over manganese oxide at 400 - 425°C.

Chemical Properties

4-Heptanone has a penetrating odor and burning taste.

Chemical Properties

colourless liquid

Occurrence

Reported found in apple juice, papaya, pear, cabbage, baked potato, roasted peanut, chicken fat, coffee, bachang (Mangifera foetida L ) and rooibus tea (Aspalathius linearis)

Uses

Solvent for nitrocellulose, oils, resins, and polymers and in flavorings

Uses

Dipropyl ketone (DPK) is used as a solventin oils, resins, nitrocellulose, and polymers;and as a flavoring compound.

Uses

4-Heptanone is used as a solvent for nitrocellulose as well as in organic synthesis. It is involved in the preparation of flavorings. It is used as an intermediate in the synthesis of active pharmaceutical ingredients. Further, it is used in paints and coatings.

Preparation

By passing butyric acid over wood coal at 425°C and then over cerium oxide at 500°C or over thorium oxide; also over manganese oxide at 400 to 425°C.

Aroma threshold values

Detection: 8.2 to 41 ppb; aroma characteristics at 1.0%: sweet ethereal, banana fruity, pungent, green apple with cheese nuances.

Taste threshold values

Taste characteristics at 5 ppm: fruity, banana, green apple, blue cheese with nut-like nuances.

Synthesis Reference(s)

The Journal of Organic Chemistry, 59, p. 245, 1994 DOI: 10.1021/jo00080a042

General Description

A colorless liquid with a pleasant odor. Insoluble in water and less dense than water. Flash point 120°F. Toxic by inhalation. A skin irritant. Used to make flavorings and as a solvent.

Air & Water Reactions

Flammable. Insoluble in water.

Reactivity Profile

4-Heptanone is incompatible with the following: Oxidizers .

Health Hazard

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 suffocation. Runoff from fire control or dilution water may cause pollution.

Health Hazard

Inhalation of DPK vapors can cause narcosisand irritation of the eyes and respiratory tract.Exposure to 4000 ppm for 4 hours was fatalto rats. This compound exhibited low to verylow oral toxicity in test animals.
LD50 value, oral (rats): 3730 mg/kg.

Fire Hazard

Combustible liquid; flash point (closed cup) 49°C (120°F); vapor density 3.9 (air = 1); vapor pressure 5.2 torr at 20°C (68°F); fireextinguishing agent: “alcohol” foam or water spray. DPK forms explosive mixtures with air; LEL and UEL values have not been reported. It is incompatible with strong acids, alkalies, and oxidizers. .

Safety Profile

and skin contact. A skin and eye irritant. Flammable liquid when exposed to heat or flame; can react with oxidizing materials. To fight fire, use CO2, dry chemical, alcohol foam, fog, and mist. When heated to decomposition it emitsacrid smoke and fumes. See also KETONES.

Metabolism

When 950 mg methyl amyl ketone/kg body weight was administered orally to rabbits, 40% was excreted as heptyl-2-glucuronide, and traces of the unchanged ketone were also found in the urine (Kamil, Smith & Williams, 1953). 2-Heptanone (methyl amyl ketone) was identified as being among the approximately 300 compounds present in the volatile constituents of urine from male and female subjects (Zlatkis & Liebich, 1971).

Purification Methods

Dry 4-pentanone with CaSO4, then distil it from P2O5 under nitrogen. [Beilstein 1 IV 3323.]

Waste Disposal

DPK is burned in a chemical incineratorequipped with an afterburner and scrubber.

4-Heptanone synthesis

589-55-9
123-19-3
Synthesis of 4-Heptanone from 4-HEPTANOL

4-Heptanone Preparation Products And Raw materials

Raw materials

Preparation Products


4-Heptanone Suppliers

Global( 171)Suppliers
Supplier Tel Fax Email Country ProdList Advantage
career henan chemical co
+86-0371-55982848
sales@coreychem.com China 29954 58
Hangzhou FandaChem Co.,Ltd.
008615858145714
+86-571-56059825 fandachem@gmail.com CHINA 9107 55
Hubei Jusheng Technology Co.,Ltd.
86-18871470254
027-59599243 linda@hubeijusheng.com CHINA 28229 58
Hubei xin bonus chemical co. LTD
86-13657291602
027-59338440 linda@hubeijusheng.com CHINA 23035 58
Chongqing Chemdad Co., Ltd
+86-13650506873
sales@chemdad.com CHINA 37282 58
HENAN BON INDUSTRIAL CO.,LTD
0371-55170695
info@hnbon.com CHINA 26742 58
Shaanxi Dideu Medichem Co. Ltd
15319487004
029-88380327 1015@dideu.com CHINA 3994 58
Hubei Ipure Biology Co., Ltd
+8618062405514
18062427325 ada@ipurechemical.com;ada@ipurechemical.com China 10352 58
Hefei TNJ Chemical Industry Co.,Ltd.
0551-65418671
0551-65418697 sales@tnjchem.com CHINA 37441 58
Shaanxi Dideu Medichem Co. Ltd
18192503167 +86-29-89586680
+86-29-88380327 1005@dideu.com CHINA 9938 58

View Lastest Price from 4-Heptanone manufacturers

Image Release date Product Price Min. Order Purity Supply Ability Manufacturer
2020-02-26 4-Heptanone
123-19-3
US $0.00-0.00 / KG 100g 99.0%+ 100 tons Shaanxi Dideu Medichem Co. Ltd
2019-07-06 4-Heptanone
123-19-3
US $3700.00 / KG 160KG 99 200ton Career Henan Chemical Co

4-Heptanone Spectrum


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