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Merck
CN

68328

16-O-Methylcafestol

analytical standard

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About This Item

Empirical Formula (Hill Notation):
C21H30O3
CAS Number:
108214-28-4
Molecular Weight:
330.46
NACRES:
NA.24
PubChem Substance ID:
329760811
UNSPSC Code:
85151701
MDL number:
MFCD16660342

Key Documents

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InChI

1S/C21H30O3/c1-19-8-6-17-15(7-10-24-17)16(19)5-9-20-11-14(3-4-18(19)20)21(12-20,13-22)23-2/h7,10,14,16,18,22H,3-6,8-9,11-13H2,1-2H3/t14-,16-,18+,19-,20+,21+/m1/s1

SMILES string

CO[C@]1(CO)C[C@@]23CCC4c5ccoc5CC[C@@]4(C)C2CCC1C3

InChI key

BDVVNPOGDNWUOI-GVOJMRIRSA-N

grade

analytical standard

assay

≥95.0% (HPLC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

impurities

≤5.0% water (Karl Fischer)

application(s)

environmental
food and beverages

format

neat

Quality Level

100

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General description

16-O-Methylcafestol, a diterpene, is present as a major constituent in robusta coffee oil.

Application

Refer to the product′s Certificate of Analysis for more information on a suitable instrument technique. Contact Technical Service for further support.

Packaging

Bottomless glass bottle. Contents are inside inserted fused cone.

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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Certificates of Analysis (COA)

Lot/Batch Number
BCCJ5115
BCCH9031
BCCH2897
BCCG2628
BCCF8119

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Food Authentication
Ashrust.RP and Dennis.JM
Food Authentication (2013)
Diterpenes and diterpene esters in coffee
Kurzrock T and Speer.K
Food Reviews International, 17(4), 433-450 (2001)

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