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Merck
CN

72954

1-Heptanol

analytical standard, ≥99.5% (GC)

Synonym(s):

Heptyl alcohol

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About This Item

Linear Formula:
CH3(CH2)6OH
CAS Number:
111-70-6
Molecular Weight:
116.20
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
329764488
EC Number:
203-897-9
Beilstein/REAXYS Number:
1731686
MDL number:
MFCD00002986

Key Documents

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Product Name

1-Heptanol, analytical standard, ≥99.5% (GC)

InChI key

BBMCTIGTTCKYKF-UHFFFAOYSA-N

InChI

1S/C7H16O/c1-2-3-4-5-6-7-8/h8H,2-7H2,1H3

SMILES string

CCCCCCCO

grade

analytical standard

vapor pressure

0.5 mmHg ( 20 °C)

assay

≥99.5% (GC)

autoignition temp.

662 °F

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable
gas chromatography (GC): suitable

refractive index

n20/D 1.424 (lit.)
n20/D 1.424

bp

176 °C (lit.)

mp

−36 °C (lit.)

density

0.822 g/mL at 25 °C (lit.)

application(s)

cleaning products
cosmetics
environmental
flavors and fragrances
food and beverages
personal care

format

neat

Quality Level

100

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Application

1-Heptanol may be used as a model compound for the determination of alcohols with fluorescence derivatization reagent, 4-(N,N-dimethylaminosulfonyl)-7-(2-chloroformylpyrrolidin-1-yl)-2,1,3-benzoxadiazole using liquid chromatography technique.
1-Heptanol may be used as internal standard in the determination of 4-ethylphenol and 4-ethylguaiacol, which are volatile phenols in red wine samples using gas chromatography coupled with mass spectrometry(GC-MS).
Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

pictograms

Exclamation mark
GHS07

signalword

Warning

hcodes

H319,H412

Hazard Classifications

Aquatic Chronic 3 - Eye Irrit. 2

Storage Class

10 - Combustible liquids

wgk

WGK 1

flash_point_f

168.8 °F - closed cup

flash_point_c

76 °C - closed cup

ppe

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

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Certificates of Analysis (COA)

Lot/Batch Number
BCCL5405
BCCK3295
BCCH8868
BCCJ3134
BCCD2247

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Christine Mayr Marangon et al.
Food chemistry, 344, 128658-128658 (2020-12-07)
The Italian grape pomace distillate grappa is often refined by ageing in wooden barrels. Chemical changes of the volatile profile of two samples produced from a Cabernet Sauvignon/Merlot blend and Prosecco pomace both at two ethanol contents (55% and 68%)
Determination of volatile phenols in red wines by dispersive liquid?liquid microextraction and gas chromatography?mass spectrometry detection
Farina L, et al.
Journal of Chromatography A, 1157, 46-50 (2007)
Determination of alcohols and amines, labelled with 4-(N, N-dimethylaminosulfonyl)-7-(2-chloroformylpyrrolidin-1-yl)-2, 3, 1-benzoxadiazole, by liquid chromatography with conventional and laser-induced fluorescence detection
Toyooka T, et al.
Analytica Chimica Acta, 285(3), 343-351 (1994)
Anupama Natarajan et al.
Biomaterials, 32(18), 4267-4274 (2011-04-02)
Cardiac side effects are one of the major causes of drug candidate failures in preclinical drug development or in clinical trials and are responsible for the retraction of several already marketed therapeutics. Thus, the development of a relatively high-throughput, high
Gabriela Oliveira et al.
International journal of pharmaceutics, 393(1-2), 61-67 (2010-04-08)
While it is well recognised that formulation components influence drug permeation, few studies have addressed the influence of vehicles on drug transport in artificial or biological membranes Previously we have investigated the effects of temperature on the uptake of model
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