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Merck

165131

Sigma-Aldrich

2,5-己二酮

≥98%

别名:

双丙酮

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About This Item

线性分子式:
CH3COCH2CH2COCH3
CAS号:
分子量:
114.14
Beilstein:
506525
EC號碼:
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
NACRES:
NA.22

蒸汽壓力

0.43 mmHg ( 20 °C)

化驗

≥98%

形狀

liquid

折射率

n20/D 1.425 (lit.)

bp

191 °C (lit.)

mp

−6-−5 °C (lit.)

溶解度

alcohol: miscible
diethyl ether: miscible
water: miscible

密度

0.973 g/mL at 25 °C (lit.)

官能基

ketone

SMILES 字串

CC(=O)CCC(C)=O

InChI

1S/C6H10O2/c1-5(7)3-4-6(2)8/h3-4H2,1-2H3

InChI 密鑰

OJVAMHKKJGICOG-UHFFFAOYSA-N

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一般說明

2,5-己二酮是神经毒性工业溶剂甲基丁基酮的主要代谢产物。 它与胺反应生成2,5-二甲基吡咯

應用

2,5-己二酮被用作合成反式-2,5-二甲基吡咯烷的起始试剂。
它已被用作参考标准品,用于通过气相色谱-电子捕获检测和气相色谱-质谱选择性检测法检测人尿液中的2,5HD。

象形圖

Health hazardExclamation mark

訊號詞

Warning

危險分類

Acute Tox. 4 Oral - Eye Irrit. 2 - Repr. 2 - Skin Irrit. 2 - STOT RE 2

標靶器官

Nervous system

儲存類別代碼

10 - Combustible liquids

水污染物質分類(WGK)

WGK 2

閃點(°F)

174.2 °F - closed cup

閃點(°C)

79 °C - closed cup

個人防護裝備

Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter


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分析证书(COA)

Lot/Batch Number

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E K Allard et al.
Toxicology and applied pharmacology, 137(2), 149-156 (1996-04-01)
The Sertoli cell toxicant 2,5-hexanedione (2,5-HD) causes irreversible testicular atrophy in rats. After toxicant exposure, only Sertoli cells, stem cells, and a few spermatogonia remain in the seminiferous epithelium. In this study, the number, type, and fate of the remaining
D C Anthony et al.
Toxicology and applied pharmacology, 71(3), 372-382 (1983-12-01)
3,4-Dimethyl-2,5-hexanedione and 2,5-hexanedione were reacted with model amines to yield N-substituted 2,3,4,5-tetramethylpyrroles and 2,5-dimethylpyrroles, respectively. When compared to the unsubstituted parent compound 2,5-hexanedione, 3,4-dimethyl-2,5-hexanedione was found to cyclize approximately eight times as rapidly on a molar basis at 37 degrees
An improved synthesis of (-)-(2R, 5R)-2, 5-dimethylpyrrolidine.
Short RP, et al.
The Journal of Organic Chemistry, 54(7), 1755-1756 (1989)
P S Spencer et al.
Journal of neurology, neurosurgery, and psychiatry, 38(8), 771-775 (1975-08-01)
Chronic exposure of rats to 2,5-hexanedione (CH3COCH2CH2COCH3), a major metabolite of the neurotoxic industrial solvent methyl n-buryl ketone (CH3COCH2CH2CH2CH3), has been shown to cause a clinical peripheral neuropathy with dying-back peripheral and central nervous system degeneration characterized by giant axonal
Gas chromatographic method for the sensitive determination of 2, 5-hexanedione using electron capture and mass-selective detection.
Konidari, C. N., C. D. Stalikas, and M. I. Karayannis
Analytica Chimica Acta, 442.2, 231-239 (2001)

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