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Supelco

Hexyl acetate

analytical standard

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Synonym(s):
Capryl acetate
Linear Formula:
CH3COO(CH2)5CH3
CAS Number:
142-92-7
Molecular Weight:
144.21
Beilstein:
1747138
EC Number:
205-572-7
MDL number:
MFCD00009524
UNSPSC Code:
85151701
PubChem Substance ID:
329752793
NACRES:
NA.24

grade

analytical standard

Quality Level

100

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

SMILES string

CCCCCCOC(C)=O

InChI

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

InChI key

AOGQPLXWSUTHQB-UHFFFAOYSA-N

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General description

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

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.

Recommended products

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
GHS02,GHS09

Signal Word

Warning

Hazard Statements

H226,H411

Hazard Classifications

Aquatic Chronic 2 - Flam. Liq. 3

WGK

WGK 1

Flash Point(F)

closed cup

Flash Point(C)

closed cup

Personal Protective Equipment

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

Certificates of Analysis (COA)

Search for Certificates of Analysis (COA) by entering the products Lot/Batch Number. Lot and Batch Numbers can be found on a product’s label following the words ‘Lot’ or ‘Batch’.

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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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