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Overview

Isochlorogenic acid B

Product attributes

Scientific

Smiles

O[C@@H]1C[C@@](O)(C[C@@H](OC(=O)\C=C\c2ccc(O)c(O)c2)[C@@H]1OC(=O)\C=C\c3ccc(O)c(O)c3)C(=O)O

Inch

InChI=1S/C25H24O12/c26-15-5-1-13(9-17(15)28)3-7-21(31)36-20-12-25(35,24(33)34)11-19(30)23(20)37-22(32)8-4-14-2-6-16(27)18(29)10-14/h1-10,19-20,23,26-30,35H,11-12H2,(H,33,34)/b7-3+,8-4+/t19-,20-,23-,25-/m1/s1

IUPAC

(1R,3R,4R,5R)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid

Analyte data

Analyte name

Details

CAS no

Isochlorogenic acid
-
14534-61-3

Physical properties

Form

Solid

Color

White

Odor

Odourless

Flash point °C

-20.0

Melting point °C

234-238

Molecular weight

516.45

Attributes

Technical name

Isochlorogenic acid

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Safety & documentation

EU GHS signal word

GHS07

EU GHS hazard statement

3.2/2; H315-3.3/2; H319

EU GHS precautionary statement

P264-P280a-P280i-P305+P351+P338-P321-P332+P313-P337+P313-P302+P352a-P362+P364

Transport

Transport properties

Shipping temperature

Cold Room (2-8 C)

Country of origin

UNITED STATES

Transport information

Tariff code

29182900

Lot tracking code

Technical Name

Isochlorogenic acid
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