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Merck
CN

109363

3-庚醇

99%

别名:

丁基乙基甲醇

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线性分子式:
CH3(CH2)3CH(OH)CH2CH3
化学文摘社编号:
分子量:
116.20
NACRES:
NA.22
PubChem Substance ID:
eCl@ss:
39020218
UNSPSC Code:
12352100
EC Number:
209-661-1
MDL number:
Beilstein/REAXYS Number:
1719067
Assay:
99%
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InChI key

RZKSECIXORKHQS-UHFFFAOYSA-N

InChI

1S/C7H16O/c1-3-5-6-7(8)4-2/h7-8H,3-6H2,1-2H3

SMILES string

CCCCC(O)CC

assay

99%

refractive index

n20/D 1.421 (lit.)

bp

66 °C/20 mmHg (lit.)

density

0.821 g/mL at 20 °C, 0.818 g/mL at 25 °C (lit.)

Quality Level

General description

3-Heptanol is the main biotransformation product of n-heptane.

Application

3-Heptanol can be used:
  • As a solvent to form microenvironments around single-walled carbon nanotubes.
  • To prepare substituted pyrimidine derivatives as C1 domain-targeted isophthalate analogs to study their binding affinities towards PKCα isoform.
  • As a building block to synthesize 4-(3-adamantan-1-yl-ureido)-butyric acid and cyclohexanecarboxylic acid derivatives as sEH inhibitors.

pictograms

FlameExclamation mark

signalword

Warning

hcodes

Hazard Classifications

Acute Tox. 4 Oral - Flam. Liq. 3

存储类别

3 - Flammable liquids

wgk

WGK 3

flash_point_f

140.0 °F - closed cup

flash_point_c

60 °C - closed cup

ppe

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

法规信息

危险化学品
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历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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Solvatochromic shifts of single-walled carbon nanotubes in nonpolar microenvironments
Silvera-Batista CA, et al.
Physical Chemistry Chemical Physics, 12(26), 6990-6998 (2010)
L Perbellini et al.
Archives of toxicology, 58(4), 229-234 (1986-04-01)
Numerous n-heptane metabolites have been identified and quantified by gas chromatography and mass spectrometry in some tissues and in the urine of Sprague Dawley rats exposed for 6 h to 1800 ppm n-heptane. 2-Heptanol and 3-heptanol were the main biotransformation
Scaffold hopping from (5-hydroxymethyl) isophthalates to multisubstituted pyrimidines diminishes binding affinity to the C1 domain of protein kinase C
Provenzani R, et al.
Testing, 13(4), e0195668-e0195668 (2018)
Carlos A Silvera-Batista et al.
Physical chemistry chemical physics : PCCP, 12(26), 6990-6998 (2010-05-14)
Single-walled carbon nanotubes (SWNTs) are encapsulated with microenvironments of nonpolar solvent, providing a new method to measure the photophysical properties of nanotubes in environments with known properties. Photoluminescence (PL) and absorbance spectra of SWNTs show solvatochromic shifts in 16 nonpolar
Biologically active ester derivatives as potent inhibitors of the soluble epoxide hydrolase
Kim I-H, et al.
Bioorganic & medicinal chemistry letters, 22(18), 5889-5892 (2012)

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