Chlorogenic acid hemihydrate - ≥99% , CAS No.6001-76-9

CAS: 6001-76-9 Cat. No.: C274899 Molecular Weight: 363.32 PubChem CID: 71306904
AVAILABLE TO ORDER
GRADE & PURITY ≥99%
Synonyms
Chlorogenic acid hemihydrate, >=98.0% (T) | Chlorogenic acid hemihydrate | (1S,3R,4R,5R)-3-{[(2E)-3-(3,4-Dihydroxyphenyl)prop-2-enoyl]oxy}-1,4,5-trihydroxycyclohexane-1-carboxylic acid--water (2/1) | CHLOROGENICACIDHEMIHYDRATE | DTXSID80745381 | (1S,3R,4R
Storage
Store at 2-8°C
Shipped In
Wet ice
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
250mg
C274899-250mg
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$49.90
1g
C274899-1g
8-12 wks(?) Production requires sourcing of materials. We appreciate your patience and understanding.
$105.90
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Why this grade

≥99% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Store at 2-8°C Ships Wet ice Check lot-specific COA for exact specifications.

📋

Quality documents

SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.

📚

Literature proof

Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Overview

Store at +4°C. The product can be stored for up to 12 months.

Specifications

Synonyms
Chlorogenic acid hemihydrate, >=98.0% (T) | Chlorogenic acid hemihydrate | (1S, 3R, 4R, 5R)-3-{[(2E)-3-(3, 4-Dihydroxyphenyl)prop-2-enoyl]oxy}-1, 4, 5-trihydroxycyclohexane-1-carboxylic acid--water (2/1) | CHLOROGENICACIDHEMIHYDRATE | DTXSID80745381 | (1S, 3R, 4R
Specifications & Purity
≥99%
Storage
Store at 2-8°C
Shipped In
Wet ice
This product requires cold chain shipping. Ground and other economy services are not available.
Purity
≥99%
Names and Identifiers
Canonical SmilesC1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O.C1C(C(C(CC1(C(=O)O)O)OC(=O)C=CC2=CC(=C(C=C2)O)O)O)O.O
IUPAC Name(1S,3R,4R,5R)-3-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid;hydrate
InChIKeyKMUJVRDSAIKKTF-MTDLMOCGSA-N
INCHI1S/2C16H18O9.H2O/c2*17-9-3-1-8(5-10(9)18)2-4-13(20)25-12-7-16(24,15(22)23)6-11(19)14(12)21;/h2*1-5,11-12,14,17-19,21,24H,6-7H2,(H,22,23);1H2/b2*4-2+;/t2*11-,12-,14-,16+;/m11./s1
Isomeric SMILES C1[C@@](C[C@H]([C@@H]([C@@H]1O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)(O)C(=O)O.C1[C@@](C[C@H]([C@@H]([C@@H]1O)O)OC(=O)/C=C/C2=CC(=C(C=C2)O)O)(O)C(=O)O.O
PubChem CID 71306904
Molecular Weight 363.32

Documentation

📋 Safety Data Sheet (SDS)

Comprehensive hazard, handling, storage, and regulatory compliance document.

Download SDS →

✅ Certificate of Analysis (COA)

Lot-specific quality data. Enter your lot number to retrieve the exact COA.

Look up COA →

📊 Datasheet

Quick-reference summary of product specifications and applications.

View datasheet →

🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

View spec sheet →

Advanced Data

3D Structure
Interactive Chemical Structure Model





Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
SolubilitySoluble in water to 25 mM
Solution Calculators
Reviews

Customer Reviews

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