Pentaerythritol Tetrabenzoate - ≥95.5%(HPLC) , CAS No.4196-86-5

CAS: 4196-86-5 Cat. No.: P160695 Molecular Weight: 552.58 Beilstein Registry Number: 9144 EC Number: 224-079-8 PubChem CID: 20167
AVAILABLE TO ORDER
GRADE & PURITY ≥95.5%(HPLC)
Synonyms
1,3-Propanediol, 2,2-bis((benzoyloxy)methyl)-, dibenzoate | STK366686 | 2,2-bis(benzoyloxymethyl)propane-1,3-diyl dibenzoate | Uniplex 552 | Pentaerythritol tetrabenzoate | 3-(Benzoyloxy)-2,2-bis[(benzoyloxy)methyl]propyl benzoate | AM85762 | Benzoflex S-
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
P160695-1g
4
$9.90
5g
P160695-5g
5
$10.90
25g
P160695-25g
3

$24.90

$37.90
Save $13.00 (34.30%)
100g
P160695-100g
1

$65.90

$98.90
Save $33.00 (33.37%)
Enter a quantity for the sizes you want to add.
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Why this grade

≥95.5%(HPLC) for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

🌡

Storage & shipping

Room temperature Ships Normal 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.

Specifications

Synonyms
1, 3-Propanediol, 2, 2-bis((benzoyloxy)methyl)-, dibenzoate | STK366686 | 2, 2-bis(benzoyloxymethyl)propane-1, 3-diyl dibenzoate | Uniplex 552 | Pentaerythritol tetrabenzoate | 3-(Benzoyloxy)-2, 2-bis[(benzoyloxy)methyl]propyl benzoate | AM85762 | Benzoflex S-
Specifications & Purity
≥95.5%(HPLC)
Storage
Room temperature
Shipped In
Normal
Purity
≥95.5%(HPLC)
Names and Identifiers
Pubchem Sid488182592
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/488182592
Canonical SmilesC1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CC=CC=C2)(COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4
IUPAC Name[3-benzoyloxy-2,2-bis(benzoyloxymethyl)propyl] benzoate
InChIKeyMINJAOUGXYRTEI-UHFFFAOYSA-N
INCHI1S/C33H28O8/c34-29(25-13-5-1-6-14-25)38-21-33(22-39-30(35)26-15-7-2-8-16-26,23-40-31(36)27-17-9-3-10-18-27)24-41-32(37)28-19-11-4-12-20-28/h1-20H,21-24H2
Isomeric SMILES C1=CC=C(C=C1)C(=O)OCC(COC(=O)C2=CC=CC=C2)(COC(=O)C3=CC=CC=C3)COC(=O)C4=CC=CC=C4
WGK Germany 3
RTECS RZ2605000
PubChem CID 20167
Molecular Weight 552.58
Beilstein 9144
Reaxy-Rn 3513249

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

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassOrganic acids and derivatives
ClassCarboxylic acids and derivatives
SubclassTetracarboxylic acids and derivatives
Intermediate Tree Nodes Not available
Direct ParentTetracarboxylic acids and derivatives
Alternative Parents Benzoic acid esters  Benzoyl derivatives  Carboxylic acid esters  Organooxygen compounds  Organic oxides  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Tetracarboxylic acid or derivatives - Benzoate ester - Benzoic acid or derivatives - Benzoyl - Benzenoid - Monocyclic benzene moiety - Carboxylic acid ester - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as tetracarboxylic acids and derivatives. These are carboxylic acids containing exactly four carboxyl groups.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR3C1 Tclin Glucocorticoid receptor (14987 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
AR Tclin Androgen Receptor (11781 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
VDR Tclin Vitamin D receptor (26531 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
RXRA Tclin Retinoid X receptor alpha (3637 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NR1H4 Tclin Bile acid receptor FXR (6228 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
TP53 Tchem Cellular tumor antigen p53 (48468 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
HIF1A Tchem Hypoxia-inducible factor 1 alpha (6027 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Associated Targets(non-human)
Ppard Peroxisome proliferator-activated receptor delta (358 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mapk1 MAP kinase ERK2 (650 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
lef Anthrax lethal factor (7585 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
Mechanisms of Action
Certificates(CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

11 results found

Lot NumberCertificate TypeDateItem
H2212222Certificate of AnalysisMay 20, 2026 P160695
H2212223Certificate of AnalysisMay 20, 2026 P160695
H1909237Certificate of AnalysisMay 08, 2023 P160695
B2311085Certificate of AnalysisDec 09, 2022 P160695
B2311129Certificate of AnalysisDec 09, 2022 P160695
B2311137Certificate of AnalysisDec 09, 2022 P160695
B2311138Certificate of AnalysisDec 09, 2022 P160695
B2311151Certificate of AnalysisDec 09, 2022 P160695
B2311157Certificate of AnalysisDec 09, 2022 P160695
B2311158Certificate of AnalysisDec 09, 2022 P160695
B2311170Certificate of AnalysisDec 09, 2022 P160695

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Chemical and Physical Properties
SolubilityInsoluble in water; Soluble in Methanol
Melt Point(°C)102-104°C
Molecular Weight552.600 g/mol
XLogP36.500
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count16
Exact Mass552.178 Da
Monoisotopic Mass552.178 Da
Topological Polar Surface Area105.000 Ų
Heavy Atom Count41
Formal Charge0
Complexity704.000
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
The total count of all stereochemical bonds0
Covalently-Bonded Unit Count1
Solution Calculators
Reviews

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