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Merck
CN

25539

乙酸己酯

analytical standard

别名:

正己基乙酸酯

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关于此项目

线性分子式:
CH3COO(CH2)5CH3
化学文摘社编号:
分子量:
144.21
UNSPSC Code:
85151701
NACRES:
NA.24
PubChem Substance ID:
EC Number:
205-572-7
Beilstein/REAXYS Number:
1747138
MDL number:
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产品名称

乙酸己酯, analytical standard

InChI key

AOGQPLXWSUTHQB-UHFFFAOYSA-N

InChI

1S/C8H16O2/c1-3-4-5-6-7-10-8(2)9/h3-7H2,1-2H3

SMILES string

CCCCCCOC(C)=O

grade

analytical standard

assay

≥99.7% (GC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.409 (lit.)
n20/D 1.409

bp

168-170 °C (lit.)

mp

−80 °C (lit.)

density

0.87 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
flavors and fragrances
food and beverages
personal care

format

neat

Quality Level

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Application

Hexyl acetate may be used as a volatile aroma reference standard for the analysis of the analyte in apples using solid-phase microextraction (SPME), time-compressed chromatography (TCC), and time-of-flight mass spectrometry (TOFMS) methods.
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

General description

Hexyl acetate is a short-chain ester and an aromatic compound with a green note flavor, widely used in food industries.

Other Notes

Find a digital Reference Material for this product available on our online platform ChemisTwin® for NMR. You can use this digital equivalent on ChemisTwin® for your sample identity confirmation and compound quantification (with digital external standard). An NMR spectrum of this substance can be viewed and an online comparison against your sample can be performed with a few mouseclicks. Learn more here and start your free trial.

pictograms

FlameEnvironment

signalword

Warning

hcodes

Hazard Classifications

Aquatic Chronic 2 - Flam. Liq. 3

存储类别

3 - Flammable liquids

wgk

WGK 1

flash_point_f

132.8 °F - closed cup

flash_point_c

56 °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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Rapid analysis of volatile flavor compounds in apple fruit using SPME and GC/time-of-flight mass spectrometry.
Song J, et al.
Journal of Agricultural and Food Chemistry, 45(5), 1801-1807 (1997)
Optimized synthesis of lipase-catalyzed hexyl acetate in n-hexane by response surface methodology.
Shieh CJ and Chang SW
Journal of Agricultural and Food Chemistry, 49(3), 1203-1207 (2001)
Zhilin Zhang et al.
Journal of insect science (Online), 14 (2014-12-21)
The morphological structure of the metathoracic scent glands (MTGs) in Adelphocoris suturalis was observed by utilizing scanning electron microscope (SEM). Also, the secretions of MTGs in male and female were analyzed by using gas chromatography-mass spectrometry (GC-MS). The result showed
Rachel S Leisso et al.
Physiologia plantarum, 153(2), 204-220 (2014-06-20)
'Soggy breakdown' (SB) is an internal flesh disorder of 'Honeycrisp' apple (Malus × domestica Borkh.) fruit that occurs during low temperature storage. The disorder is a chilling injury (CI) in which visible symptoms typically appear after several weeks of storage
Zuobing Xiao et al.
Journal of chromatography. B, Analytical technologies in the biomedical and life sciences, 978-979, 122-130 (2014-12-30)
A simple, rapid and solvent-free multi-residue method has been developed and applied to confirm and quantify a series of volatile compounds in five cherry wines by gas chromatography coupled with mass spectrometry (GC-MS). Four parameters (e.g., coating material of fiber

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