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2-Octanone

2-Octanone Structure
2-Octanone structure
CAS No.
111-13-7
Chemical Name:
2-Octanone
Synonyms
METHYL HEXYL KETONE;Octan-2-one;METHYL N-HEXYL KETONE;2-Octanon;Methvlhexanone;MHK;octan-2-;FEMA 2802;Zhongxine;Secondone
CBNumber:
CB4852832
Molecular Formula:
C8H16O
Molecular Weight:
128.21
MDL Number:
MFCD00009540
MOL File:
111-13-7.mol
Last updated:2024-11-22 13:59:06
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2-Octanone Properties

Melting point -16 °C
Boiling point 173 °C(lit.)
Density 0.819 g/mL at 25 °C(lit.)
vapor pressure 1.8-2.614hPa at 20-25℃
FEMA 2802 | 2-OCTANONE
refractive index n20/D 1.416(lit.)
Flash point 133 °F
storage temp. Sealed in dry,2-8°C
solubility 0.9g/l
form Liquid
color Clear colorless to very slightly yellow
Odor at 10.00 % in dipropylene glycol. earthy weedy natural woody herbal
Odor Type earthy
Water Solubility 0.9 g/L
Merck 14,4711
JECFA Number 288
BRN 635843
Dielectric constant 7.4（100℃）
Stability Stable. Incompatible with strong oxidizing agents. Flammable.
LogP 1.95-2.37 at 25℃
CAS DataBase Reference 111-13-7(CAS DataBase Reference)
Substances Added to Food (formerly EAFUS) 2-OCTANONE
FDA 21 CFR 172.515
EWG's Food Scores 1
FDA UNII J2G84H29AF
NIST Chemistry Reference 2-Octanone(111-13-7)
EPA Substance Registry System 2-Octanone (111-13-7)

SAFETY

Risk and Safety Statements

Symbol(GHS)  GHS hazard pictogramsGHS hazard pictograms
GHS02,GHS07
Signal word  Warning
Hazard statements  H226-H312
Precautionary statements  P210-P280-P302+P352+P312
Hazard Codes  Xn
Risk Statements  21-10
Safety Statements  36/37-16
RIDADR  UN 1224 3/PG 3
WGK Germany  1
RTECS  RH1484000
TSCA  Yes
HazardClass  3
PackingGroup  III
HS Code  29141990
Toxicity Both the acute oral LD50 in rats and the acute dermal LD50 in rabbits exceeded 5 g/kg (Moreno, 1973).
NFPA 704
2
0 0

2-Octanone price More Price(21)

Manufacturer Product number Product description CAS number Packaging Price Updated Buy
Sigma-Aldrich W280208 2-Octanone ≥98%, FG 111-13-7 1kg $76.3 2024-03-01 Buy
Sigma-Aldrich W280208 2-Octanone ≥98%, FG 111-13-7 4kg $283 2024-03-01 Buy
Sigma-Aldrich W280208 2-Octanone ≥98%, FG 111-13-7 20kg $525 2024-03-01 Buy
Sigma-Aldrich 02479 2-Octanone analytical standard 111-13-7 5ml $121 2024-03-01 Buy
Sigma-Aldrich W280208 2-Octanone ≥98%, FG 111-13-7 2.5kg $204 2023-06-20 Buy
Product number Packaging Price Buy
W280208 1kg $76.3 Buy
W280208 4kg $283 Buy
W280208 20kg $525 Buy
02479 5ml $121 Buy
W280208 2.5kg $204 Buy

2-Octanone Chemical Properties,Uses,Production

Synthesis

1-Octyne (7.5 g) and formic acid (100 mL) were heated in an oil bath at 100 ºC until all starting material was consumed. The progress of the reaction was monitored by GC analysis of the reaction solution. Quantitative GC analysis at the end of the reaction (6 h) indicated 92% yield of 2-octanone. The cooled reaction mixture was taken up with CH2Cl2 (170 mL), and the solution was washed with water, sodium carbonate solution, and water, dried over MgSO4, and evaporated in vacuo. The residue was distilled (bp 171–173 ºC) to give 2-octanone (7.42 g, 85%).

Reference: Menashe, N.; Reshef, D.; Shvo, Y. J. Org. Chem. 1991, 56, 2912–2914.

References

[1]Bangs, William E., and G. A. Reineccius. "Influence of Dryer In feed Matrices on the Retention of Volatile Flavor Compounds During Spray Drying." Journal of Food Science 47.1(1982):254-259. Kida, T, et al. "New cleavable surfactants derived from glucono-1,5-lactone. " Journal of the American Oil Chemists’ Society 71.7(1994):705-710.
[2]Tan, Guan Huat, and Lukman Bola Abdulra'uf. "Recent developments and applications of microextraction techniques for the analysis of pesticide residues in fruits and vegetables." Pesticides-Recent Trends in Pesticide Residue Assay. InTech, 2012.

Description

2-Octanone has a floral and bitter, green, fruity (unripe apple) odor with a bitter camphoraceous taste. May be synthesized by the oxidation of methyl hexyl carbinol with K2Cr2O7 and sulfuric acid; also by oxidation of 2-octanol over zinc oxide at 330 - 340°C.

Chemical Properties

2-Octanone has a floral and bitter, green, fruity (unripe apple) odor and bitter, camphoraceous taste. Insoluble in water; solublein alcohol, hydrocarbons, ether, esters, etc. Com-bustible.

Occurrence

Reported found in apple, apricot, banana, cranberry, grape, raisin, papaya, peach, raspberry, strawberry, leek, peas, clove, wheat bread, many cheeses, butter, milk, cooked egg, yogurt, caviar, fatty fish, meats, beer, hop oil beer, cognac, rum, grape wines, cocoa, coffee, tea, roasted filberts and peanuts, pecans, potato chips, oats, soybean, olive, beans, walnut, trassi, mushroom, fig, rice, buckwheat, quince, sweet corn, corn oil, malt, wort, krill, Bourbon vanilla, mountain papaya, shrimp, crab, crayfish, clam, truffle, maté and mastic gum oil.

Uses

2-Octanone is used in perfumes, high-boiling solvent, especially for epoxy resin coatings and in leather finishes. It is used in flavoring, odorant. It can act as antiblushing agent for nitrocellulose lacquers.

Uses

2-Octanone may be used as an analytical reference standard for the quantification of the analyte in sugar-cane spirits and rum samples and whey protein concentrate using chromatography based techniques.

Preparation

By oxidation of methyl hexyl carbinol with K2Cr2O7 and sulfuric acid; also by oxidation of 2-octanol over zinc oxide at 330 to 340°C.

Production Methods

2-Octanone can be produced by oxidation of methyl hexyl carbinol, 2-octanol, or 1-octene or by reductive condensation of acetone with pentanol. Commercial samples can have a purity of 98%.

Definition

ChEBI: A methyl ketone that is octane substituted by an oxo group at position 2.

Aroma threshold values

Detection: 41 to 62 ppb

Taste threshold values

Taste characteristics at 10 ppm: dairy, waxy, cheese, woody, mushroom and yeast.

Synthesis Reference(s)

The Journal of Organic Chemistry, 56, p. 5924, 1991 DOI: 10.1021/jo00020a040
Tetrahedron Letters, 26, p. 2107, 1985 DOI: 10.1016/S0040-4039(00)94791-9

General Description

2-Octanone is a volatile flavor compound reported to be found in blue cheese, acerola fruit, blue crab and cray fish.

Industrial uses

Methyl n-hexyl ketone is used as solvent for vinyl compounds and dyes and is suitable for dispersing dyes in light-weight petroleum oils for newsprint inks.

Safety Profile

Poison by ingestion. Moderately toxic by intraperitoned route. A sktn irritant. Flammable liquid when exposed to heat, flame, or oxidizers. To fight fire, use foam, alcohol foam. When heated to decomposition it emits acrid smoke and irritating fumes. See also ETHER and KETONES.

2-Octanone Preparation Products And Raw materials

Raw materials

DL-2-Octanol Castor oil

Preparation Products

UNDECANE,5-METHYL- CIS-2-OCTENE 3-OCTEN-2-ONE N-OCTANE 2-OCTYNE
(3E)-3-hydroxyiminooctan-2-one

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2-Octanone Suppliers

Global( 389)Suppliers
Supplier Tel Email Country ProdList Advantage
Hebei Weibang Biotechnology Co., Ltd 		+8615531157085 abby@weibangbio.com China 8812 58
Hebei Mojin Biotechnology Co., Ltd 		+86 13288715578 +8613288715578 sales@hbmojin.com China 12840 58
Hebei Chuanghai Biotechnology Co,.LTD 		+86-13131129325 sales1@chuanghaibio.com China 5893 58
Henan Fengda Chemical Co., Ltd 		+86-371-86557731 +86-13613820652 info@fdachem.com China 20287 58
Hebei Zhuanglai Chemical Trading Co Ltd 		+86-16264648883 +86-16264648883 niki@zlchemi.com China 771 58
Capot Chemical Co.,Ltd. 		+86-（0）57185586718 +86-13336195806 sales@capot.com China 29791 60
Henan Tianfu Chemical Co.,Ltd. 		+86-0371-55170693 +86-19937530512 info@tianfuchem.com China 21634 55
Hangzhou FandaChem Co.,Ltd. 		+8615858145714 FandaChem@Gmail.com China 9214 55
career henan chemical co 		+86-0371-86658258 +8613203830695 sales@coreychem.com China 29882 58
SHANDONG ZHI SHANG CHEMICAL CO.LTD 		+86 18953170293 sales@sdzschem.com China 2930 58
Supplier Advantage
Hebei Weibang Biotechnology Co., Ltd 		58
Hebei Mojin Biotechnology Co., Ltd 		58
Hebei Chuanghai Biotechnology Co,.LTD 		58
Henan Fengda Chemical Co., Ltd 		58
Hebei Zhuanglai Chemical Trading Co Ltd 		58
Capot Chemical Co.,Ltd. 		60
Henan Tianfu Chemical Co.,Ltd. 		55
Hangzhou FandaChem Co.,Ltd. 		55
career henan chemical co 		58
SHANDONG ZHI SHANG CHEMICAL CO.LTD 		58

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View Lastest Price from 2-Octanone manufacturers

Image Update time Product Price Min. Order Purity Supply Ability Manufacturer
2-Octanone pictures 2024-11-22 2-Octanone
111-13-7
 US $60.00 / kg 1kg 99% 20 tons Hebei Zhuanglai Chemical Trading Co Ltd
2-Octanone pictures 2024-11-13 2-Octanone
111-13-7
 US $10.00 / kg 1kg 99% 100 mt Hebei Weibang Biotechnology Co., Ltd
2-Octanone pictures 2024-10-11 2-Octanone
111-13-7
 US $5.00-2.00 / KG 1KG 99% 10000kg Hebei Chuanghai Biotechnology Co,.LTD
  • 2-Octanone pictures
  • 2-Octanone
    111-13-7
  • US $60.00 / kg
  • 99%
  • Hebei Zhuanglai Chemical Trading Co Ltd
  • 2-Octanone pictures
  • 2-Octanone
    111-13-7
  • US $10.00 / kg
  • 99%
  • Hebei Weibang Biotechnology Co., Ltd
  • 2-Octanone pictures
  • 2-Octanone
    111-13-7
  • US $5.00-2.00 / KG
  • 99%
  • Hebei Chuanghai Biotechnology Co,.LTD

2-Octanone Spectrum

2-Octanone(111-13-7)MS2-Octanone(111-13-7)1HNMR2-Octanone(111-13-7)13CNMR2-Octanone(111-13-7)IR12-Octanone(111-13-7)Raman

111-13-7(2-Octanone)Related Search:

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Kresoxim-methyl POLYETHYLENE GLYCOL TRIMETHYLNONYL ETHER Isooctanoic acid Methyl DL-2-Octanol
2-Butanol Ammonium paratungstate 2-Octanol

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