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Merck

537470

乙酸异丁酯

99%

同義詞:

乙酸异丁酯

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關於此項目

線性公式:
CH3COOCH2CH(CH3)2
CAS 編號:
分子量::
116.16
UNSPSC Code:
12352108
NACRES:
NA.21
PubChem Substance ID:
EC Number:
203-745-1
Beilstein/REAXYS Number:
1741909
MDL number:
Assay:
99%
Bp:
115-117 °C (lit.)
Vapor pressure:
15 mmHg ( 20 °C)

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產品名稱

乙酸异丁酯, 99%

InChI key

GJRQTCIYDGXPES-UHFFFAOYSA-N

InChI

1S/C6H12O2/c1-5(2)4-8-6(3)7/h5H,4H2,1-3H3

SMILES string

CC(C)COC(C)=O

vapor density

>4 (vs air)

vapor pressure

15 mmHg ( 20 °C)

assay

99%

form

liquid

autoignition temp.

793 °F

expl. lim.

10.5 %

impurities

≤0.050% (water)

refractive index

n20/D 1.39 (lit.)

pH

6.7 (20 °C, 5 g/L)

bp

115-117 °C (lit.)

mp

−99 °C (lit.)

solubility

water: soluble 5.6 g/L at 20 °C

density

0.867 g/mL at 25 °C (lit.)

Quality Level

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本產品
W21750694823PHR3189
assay

99%

assay

≥98%

assay

>99.8% (GC)

assay

-

Quality Level

100

Quality Level

400

Quality Level

100

Quality Level

300

solubility

water: soluble 5.6 g/L at 20 °C

solubility

95% ethanol: soluble 1 mL/mL

solubility

-

solubility

-

form

liquid

form

liquid

form

-

form

-

vapor pressure

15 mmHg ( 20 °C)

vapor pressure

15 mmHg ( 20 °C)

vapor pressure

15 mmHg ( 20 °C)

vapor pressure

15 mmHg ( 20 °C)

bp

115-117 °C (lit.)

bp

115-117 °C (lit.)

bp

115-117 °C (lit.)

bp

115-117 °C (lit.)

Application


  • 用在酿酒酵母中表达的海洋副念珠菌酯酶绿色合成风味酯。:这项研究展示了一种使用海洋酯酶生产风味酯(包括乙酸异丁酯)的绿色合成方法。该工艺采用酿酒酵母,展示了在食品和饮料行业中可持续生产调味剂的潜力(Xue等人,2020年)。

  • 通过拉曼光谱和多变量分析在线监测恩他卡朋合成的反应。:本研究采用拉曼光谱实时监测恩他卡朋的合成。乙酸异丁酯用作反应中的溶剂,突出了其在药物合成和过程监测中的相关性(Novak等人,2011年)。

  • 油漆稀释剂暴露以可逆方式抑制大鼠睾酮的合成和分泌。:本研究调查了含有乙酸异丁酯的油漆稀释剂暴露对大鼠睾酮合成的影响。研究结果为了解乙酸异丁酯在工业应用中的潜在内分泌干扰特性提供了见解(Yilmaz等人,2006年)。

  • 氨茶碱球形团聚晶体的制备。:这项研究探索了使用乙酸异丁酯作为溶剂制备氨茶碱晶体。该研究强调了该化合物在药物制剂中增强药物溶解度和生物利用度的效用(Kawashima等人,1984年)。

General description

乙酸异丁酯(IBA)是乙酸丁酯的一种异构体,[1]是在水果中发现的一种香味剂。 [2]已经评估了它与异丁醇的二元混合物在20和101.3kPa时的汽液平衡。[3] 已经报道了它可以通过脂肪酶催化的酯化反应进行合成。[4]

pictograms

FlameExclamation mark

signalword

Danger

hcodes

Hazard Classifications

Flam. Liq. 2 - STOT SE 3

target_organs

Central nervous system

存儲類別/等級

3 - Flammable liquids

wgk

WGK 1

flash_point_f

71.6 °F - Pensky-Martens closed cup

flash_point_c

22 °C - Pensky-Martens closed cup


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分析證明 (COA)

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Isobaric vapor-liquid equilibria for the binary systems isobutyl alcohol+ isobutyl acetate and tert-butyl alcohol+tert-butyl acetate at 20 and 101.3 kPa.
Monton JB, et al.
Fluid Phase Equilibria, 227(1), 19-25 (2005)
Rabia Alghazeer et al.
Food chemistry, 108(3), 801-810 (2008-06-01)
The effect of frozen storage on lipid peroxidation in Atlantic mackerel (Scomber scombrus) stored for up to 26 weeks at -10 or -80°C (control), with and without green tea antioxidants, was investigated. Hydroperoxides (PV) and aldehydes (TBARS) were measured by
Günter E Jeromin et al.
Biotechnology letters, 30(5), 925-928 (2008-01-16)
A new irreversible esterification method for carboxylic acids catalyzed by a lipase from Candida antarctica (Novozyme 435) in organic solvents has been developed. The water produced during the process is chemically destroyed by a corresponding ester of acetoacetate, which acts
Determination of low phosphate concentrations in seawater by an isobutyl acetate extraction procedure.
Cescon BS and Scarazzato PG.
Limnology and Oceanography, 18(3), 499-500 (1973)
Y H Yoon et al.
American Industrial Hygiene Association journal, 51(6), 319-325 (1990-06-01)
A previously developed theoretical model was applied to investigate contaminant breakthrough on charcoal sampling tubes. Associated with the model are two important theoretical parameters. These parameters are k' (a rate constant) and tau (the time required for 50% contaminant breakthrough).

Questions

1–2 of 2 Questions  
  1. How can I determine the shelf life / expiration / retest date of this product?

    1 answer
    1. If this product has an expiration or retest date, it will be shown on the Certificate of Analysis (COA, CofA). If there is no retest or expiration date listed on the product's COA, we do not have suitable stability data to determine a shelf life. For these products, the only date on the COA will be the release date; a retest, expiration, or use-by-date will not be displayed.
      For all products, we recommend handling per defined conditions as printed in our product literature and website product descriptions. We recommend that products should be routinely inspected by customers to ensure they perform as expected.
      For products without retest or expiration dates, our standard warranty of 1 year from the date of shipment is applicable.
      For more information, please refer to the Product Dating Information document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/418/501/product-dating-information-06-25-mk.pdf

      Helpful?

  2. How is shipping temperature determined? And how is it related to the product storage temperature?

    1 answer
    1. Products may be shipped at a different temperature than the recommended long-term storage temperature. If the product quality is sensitive to short-term exposure to conditions other than the recommended long-term storage, it will be shipped on wet or dry-ice. If the product quality is NOT affected by short-term exposure to conditions other than the recommended long-term storage, it will be shipped at ambient temperature. As shipping routes are configured for minimum transit times, shipping at ambient temperature helps control shipping costs for our customers. For more information, please refer to the Storage and Transport Conditions document: https://www.sigmaaldrich.com/deepweb/assets/sigmaaldrich/marketing/global/documents/316/622/storage-transport-conditions-mk.pdf

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