559016
4-甲基己酸
97%
别名:
(±)-4-Methylhexanoic acid, 4-Ethylpentanoic acid, 4-Methylcaproic acid, 4-Methylhexanoic acid
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关于此项目
线性分子式:
CH3CH2CH(CH3)CH2CH2COOH
化学文摘社编号:
分子量:
130.18
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
51113400
EC Number:
216-336-8
MDL number:
产品名称
4-甲基己酸, 97%
InChI key
DIVCBWJKVSFZKJ-UHFFFAOYSA-N
InChI
1S/C7H14O2/c1-3-6(2)4-5-7(8)9/h6H,3-5H2,1-2H3,(H,8,9)
SMILES string
CCC(C)CCC(O)=O
assay
97%
bp
109-112 °C/10 mmHg (lit.)
bulk density
0.921 g/mL
functional group
carboxylic acid
Quality Level
signalword
Danger
hcodes
Hazard Classifications
Flam. Liq. 3 - Skin Corr. 1B
存储类别
3 - Flammable liquids
wgk
WGK 2
flash_point_f
110.0 °F - closed cup
flash_point_c
43.33 °C - closed cup
ppe
Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
法规信息
危险化学品
此项目有
Márta Dregus et al.
Journal of agricultural and food chemistry, 51(24), 7086-7091 (2003-11-13)
The enantiomeric compositions of 2-methylbutanol (1), 4-methylhexanol (2), 2-methylbutanoic acid (3), and 4-methylhexanoic acid (4) present in rhubarb (Rheum rhabarbarum L.) stalks were determined. Enantiodifferentiation was achieved via multidimensional gas chromatography using heptakis(2,3,6-tri-O-ethyl)-beta-cyclodextrin as a chiral stationary phase. For all
Matthew V Gomez et al.
Toxicological sciences : an official journal of the Society of Toxicology, 179(1), 14-30 (2020-10-21)
The gut microbiome is a pivotal player in toxicological responses. We investigated the effects of maternal exposure to 3 human health-relevant toxicants (BDE-47, tetrabromobisphenol [TBBPA], and bisphenol S [BPS]) on the composition and metabolite levels (bile acids [BAs] and short-chain
J J Pitt
Journal of inherited metabolic disease, 16(2), 392-398 (1993-01-01)
The glycine conjugates of isocaproic, 4-methylhexanoic, 7-hydroxyoctanoic and 8-hydroxyoctanoic acids have been identified in the urine of children with medium-chain acyl-CoA dehydrogenase (MCAD) deficiency using gas chromatography-mass spectrometry of the trimethylsilyl derivatives. A quantitative study showed that the glycine conjugates
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