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(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid

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Formula: C16H18O9
CAS: 327-97-9

Identification

Structural Formula
(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid
CAS:
327-97-9
EINECS:
206-325-6
Molecular Formula:
C16H18O9
MDL:
MFCD00003862
Synonym:
nsc 407296 ; chlorogenic acid ; caffetannic acid ; helianthic acid ; igasuric acid ; chlorogenic ac ; chlorogenic ; heriguard ; chlorogenid acid ; nsc 70861




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Properties for (1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid

Molecular Weight:
354.31 g·mol−1
Density:
1.28 g/cm3 (lit.)
Melting point:
210 °C (dec.)(lit.)
Boiling point:
~665.0° C at 760 mmHg (Predicted)
Solubility:
25mg/ml soluble in 100% ethanol, DMSO, dimethyl formamide or PBS (pH 7.2).
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Hazard Statements

GHS07

GHS03
Harmful
  • Acute toxicity (oral, dermal, inhalation), category 4
  • Skin irritation, categories 2, 3
  • Eye irritation, category 2A
  • Skin sensitization, category 1
  • Specific target organ toxicity following single exposure, category 3
    - Respiratory tract irritation
    - Narcotic effects
  • Not used
  • with the "skull and crossbones" pictogram
  • for skin or eye irritation if:
  • the "corrosion" pictogram also appears
  • the "health hazard" pictogram is used to indicate respiratory sensitization

Safety & Transport Information

Risk Codes:
R68 - Possible risk of irreversible effects
Safety Codes:
S24/25 - Avoid contact with skin and eyes
Hazard Symbols:
Xi
Hazard symbol Xi
Storage temperature :
0-6°C
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Alternative Distributors of [(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxy-cyclohexanecarboxylic acid]

Producers or manufacturers change the product range from time to time. The following companies
have appeared as suppliers in the past / currently not verified

Spectrum Chemical Mfg. Corp. | Biosynth AG | Molekula GmbH | ABCR GmbH & Co. KG | Xiang Ding Chemical International Co., Ltd | TCI Europe NV | Chengdu Biopurify Phytochemicals Ltd. | Qingdao Sunrisechem Co., Ltd. | Shanghai Trustin Chemical Co., Ltd. | Zhejiang Native Produce & Animal By-products I/E Corp Co., Ltd. | Suzhou Rovathin Pharmatech Co., Ltd | Xi´an Aladdin Biological Technology Co.,Ltd. | Shanghai Richem International Co., Ltd. | Shanghai Brightol International Co., Ltd. | Lanospharma Laboratories Co., Ltd. | Xi´an Sanwei Bio-Technology Co., Ltd. | Shanghai Tauto Biotech Co., Ltd. | Jinan Great Chemical Co., Ltd. | Carl Roth GmbH + Co KG | Jinjiangchem Corporation | Shanxi Zishan Natural Technology Co., Ltd. | Zhejiang Kaili Industrial Co., Ltd. | Cfm Oskar Tropitzsch GmbH | BioBioPha Co., Ltd. | Watson International Ltd | Chengdu Conut Intl. Co., Ltd. | BOC Sciences | Hubei Yuancheng Saichuang Tech.Co.,Ltd | All Right Chemical Co., Ltd. | Jinan Haohua Industry Co., Ltd. | Suzhou Vosun Chemical Co.,Ltd. | Pfaltz & Bauer, Inc. | Clearsynth Canada INC. | Wanko Chemical Co., Ltd.

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