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Merck
CN

40785

Caffeic acid 1,1-dimethylallyl ester

analytical standard

Synonym(s):

1,1-Dimethylallyl caffeate, 1,1-Dimethylallyl caffeic acid ester, 3-Methyl-2-butenyl caffeate

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About This Item

Empirical Formula (Hill Notation):
C14H16O4
CAS Number:
Molecular Weight:
248.27
NACRES:
NA.24
PubChem Substance ID:
UNSPSC Code:
85151701
MDL number:
Technical Service
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grade

analytical standard

Quality Level

assay

≥98.0% (HPLC)

shelf life

limited shelf life, expiry date on the label

technique(s)

HPLC: suitable, gas chromatography (GC): suitable

application(s)

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

format

neat

SMILES string

C\C(C)=C\COC(=O)\C=C\c1ccc(O)c(O)c1

InChI

1S/C14H16O4/c1-10(2)7-8-18-14(17)6-4-11-3-5-12(15)13(16)9-11/h3-7,9,15-16H,8H2,1-2H3/b6-4+

InChI key

TTYOHMFLCXENHR-GQCTYLIASA-N

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.

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.


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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Global Trade Item Number

SKUGTIN
40785-50MG04061834244301