hexanoate

• ヘキサン酸

関

caproate、hexanoic acid

Wikipedia preview

出典(authority):フリー百科事典『ウィキペディア（Wikipedia）』「2018/03/15 23:10:46」(JST)

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Hexanoic acid

Names
IUPAC name Hexanoic acid
Other names Caproic acid; n-Caproic acid; C6:0 (Lipid numbers)
Identifiers
CAS Number	142-62-1 Y
3D model (JSmol)	Interactive image
ChEBI	CHEBI:30776 Y
ChEMBL	ChEMBL14184 Y
ChemSpider	8552 Y
ECHA InfoCard	100.005.046
KEGG	C01585 Y
PubChem CID	8892
UNII	1F8SN134MX Y
InChI InChI=1S/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8) Y Key: FUZZWVXGSFPDMH-UHFFFAOYSA-N Y InChI=1/C6H12O2/c1-2-3-4-5-6(7)8/h2-5H2,1H3,(H,7,8) Key: FUZZWVXGSFPDMH-UHFFFAOYAY
SMILES CCCCCC(=O)O
Properties
Chemical formula	C6H12O2
Molar mass	116.16 g·mol−1
Appearance	Oily liquid
Odor	goat-like
Density	0.929 g/cm3
Melting point	−3.4 °C (25.9 °F; 269.8 K)
Boiling point	205.8 °C (402.4 °F; 478.9 K)
Solubility in water	1.082 g/100 mL
Solubility	soluble in ethanol, ether
Acidity (pKa)	4.88
Magnetic susceptibility (χ)	-78.55·10−6 cm3/mol
Refractive index (nD)	1.4170
Viscosity	3.1 mP
Hazards
NFPA 704	1 3 0
Flash point	103 °C (217 °F; 376 K)
Autoignition temperature	380 °C (716 °F; 653 K)
Explosive limits	1.3-9.3%
Lethal dose or concentration (LD, LC):
LD50 (median dose)	3000 mg/kg (rat, oral)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
Y verify (what is YN ?)
Infobox references

Hexanoic acid (caproic acid) is the carboxylic acid derived from hexane with the chemical formula CH
3(CH
2)
4COOH. It is a colorless oily liquid with an odor that is fatty, cheesy, waxy, and like that of goats or other barnyard animals. It is a fatty acid found naturally in various animal fats and oils, and is one of the chemicals that give the decomposing fleshy seed coat of the ginkgo its characteristic unpleasant odor. It is also one of the components of vanilla. The primary use of hexanoic acid is in the manufacture of its esters for artificial flavors, and in the manufacture of hexyl derivatives, such as hexylphenols.

The salts and esters of this acid are known as hexanoates or caproates.

Two other acids are named after goats: caprylic (C8) and capric (C10). Along with hexanoic acid, these total 15% in goat milk fat.

Caproic, caprylic, and capric acids (capric is a crystal- or wax-like substance, whereas the other two are mobile liquids) are not only used for the formation of esters, but also commonly used "neat" in: butter, milk, cream, strawberry, bread, beer, nut, and other flavors.

English Journal

• Labile zinc-assisted biological phosphate chemosensing and related molecular logic gating interpretations.

• Kim K, Ha Y, Kaufman L, Churchill DG.SourceDepartment of Chemistry, Korea Advanced Institute of Science and Technology (KAIST) , 373-1 Guseong-dong, Yuseong-gu, Daejeon, 305-701, Republic of Korea.
• Inorganic chemistry.Inorg Chem.2012 Jan 16;51(2):928-38. Epub 2011 Dec 27.
• Herein, molecular fluorescence 'OFF-ON' behavior with aqueous addition of biological phosphate and Zn(2+) is studied with Zn(2)(slys)(2)Cl(2) [H(2)slys = 6-amino-2-{(2-hydroxybenzylidene)amino}hexanoic acid], a fluorescent water-soluble complex, using various spectroscopic tools (e.g., (31)P NMR, UV
• PMID 22201447

• Quality evaluation of olive oil by statistical analysis of multicomponent stable isotope dilution assay data of aroma active compounds.

• Dierkes G, Bongartz A, Guth H, Hayen H.SourceDepartment of Food Chemistry, University of Wuppertal , Wuppertal, Germany.
• Journal of agricultural and food chemistry.J Agric Food Chem.2012 Jan 11;60(1):394-401. Epub 2011 Dec 12.
• An instrumental method for the evaluation of olive oil quality was developed. Twenty-one relevant aroma active compounds were quantified in 95 olive oil samples of different quality by headspace solid phase microextraction (HS-SPME) and dynamic headspace coupled to GC-MS. On the basis of these stabl
• PMID 22117816

Japanese Journal

• ケミカルプロフィル t-ブチルパーオキシ-2-エチルヘキサノエート

• ファインケミカル : 調査・資料・報道・抄録 46(3), 70-72, 2017-03
• NAID 40021180633

• みつ入り果の香気を再現したエチルエステル類添加リンゴ加工品の官能特性

• 日本食品科学工学会誌 64(1), 34-37, 2017
• NAID 130005296334

• Total synthesis of natural derivatives and artificial analogs of 13-oxyingenol and their biological evaluation

• Organic & biomolecular chemistry 14(48), 11426-11437, 2016-12
• NAID 120005952352

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リンク元	「caproate」「ヘキサン酸」「hexanoic acid」

「caproate」

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caproic acid、hexanoate

「ヘキサン酸」

　　[★]

英

hexanoic acid、hexanoate

関

カプロン酸

「hexanoic acid」

　　[★]

ヘキサン酸

関

hexanoate