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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
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grade

analytical standard

Quality Level

100

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

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

SMILES string

CCCCCCCO

InChI

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

InChI key

BBMCTIGTTCKYKF-UHFFFAOYSA-N

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.

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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

Regulatory Listings

Regulatory Listings are mainly provided for chemical products. Only limited information can be provided here for non-chemical products. No entry means none of the components are listed. It is the user’s obligation to ensure the safe and legal use of the product.

Group 4: Flammable liquids + Type 3 petroleums + Hazardous rank III + Water insoluble liquid

fsl

Substances Subject to be Indicated Names

ishl_indicated

Substances Subject to be Notified Names

ishl_notified

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Certificates of Analysis (COA)

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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)
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%)
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