3,3-Bis(4-hydroxyphenyl)pentane , CAS No.3600-64-4

CAS: 3600-64-4 Cat. No.: B668688 Molecular Weight: 256.339 PubChem CID: 2288503
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Synonyms
3,3-Bis(4-hydroxyphenyl)pentane | 4-[3-(4-hydroxyphenyl)pentan-3-yl]phenol | CHEBI:79719 | Phenol, 4,4'-(1-ethylpropylidene)bis- | 3-bis(4-hydroxyphenyl)pentane | 3,3bis(4-hydroxyphenyl)pentane | 3,3-Bis(p-hydroxyphenyl)pentane | DTXSID70367798 | RKSBPFMN
Storage
Room temperature
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Price
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1mg
B668688-1mg
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$571.90

$999.90
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5mg
B668688-5mg
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$1,999.90

$2,999.90
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Why this grade

for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Check lot-specific COA for exact specifications.

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Quality documents

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

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Literature proof

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

Specifications

Synonyms
3, 3-Bis(4-hydroxyphenyl)pentane | 4-[3-(4-hydroxyphenyl)pentan-3-yl]phenol | CHEBI:79719 | Phenol, 4, 4'-(1-ethylpropylidene)bis- | 3-bis(4-hydroxyphenyl)pentane | 3, 3bis(4-hydroxyphenyl)pentane | 3, 3-Bis(p-hydroxyphenyl)pentane | DTXSID70367798 | RKSBPFMN
Storage
Room temperature
Product Properties
ALogP4.4
Names and Identifiers
Canonical SmilesCCC(CC)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
IUPAC Name4-[3-(4-hydroxyphenyl)pentan-3-yl]phenol
InChIKeyRKSBPFMNOJWYSB-UHFFFAOYSA-N
INCHI1S/C17H20O2/c1-3-17(4-2,13-5-9-15(18)10-6-13)14-7-11-16(19)12-8-14/h5-12,18-19H,3-4H2,1-2H3
Isomeric SMILES CCC(CC)(C1=CC=C(C=C1)O)C2=CC=C(C=C2)O
PubChem CID 2288503
Molecular Weight 256.339

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.

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📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 Specification Sheet

Full quality attributes and acceptance criteria for this grade.

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Advanced Data

Taxonomic Classification

Taxonomy Tree

KingdomOrganic compounds
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassDiphenylmethanes
Intermediate Tree Nodes Not available
Direct ParentBisphenols
Alternative Parents Phenylpropanes  1-hydroxy-2-unsubstituted benzenoids  Organooxygen compounds  Hydrocarbon derivatives  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Bisphenol - Phenylpropane - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Organic oxygen compound - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as bisphenols. These are methylenediphenols, HOC6H4CH2C6H4OH, commonly p,p-methylenediphenol, and their substitution products (generally derived from condensation of two equivalent amounts of a phenol with an aldehyde or ketone).
External Descriptors bisphenol
3D Structure
Interactive Chemical Structure Model





Associated Targets(Human)
ESR1 Tclin Estrogen receptor (3 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ESR2 Tclin Estrogen receptor beta (1 Activities)
Activity TypeActivity Value -log(M)Mechanism of ActionActivity ReferencePublications (PubMed IDs)
ESR1 Tclin Estrogen receptor alpha (17718 Activities)
Activity TypeRelationActivity valueUnitsAction TypeJournalPubMed IddoiAssay Aladdin ID
ESR2 Tclin Estrogen receptor beta (9272 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:
Chemical and Physical Properties
Molecular Weight256.339 g/mol
XLogP34.400
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count4
Exact Mass256.146 Da
Monoisotopic Mass256.146 Da
Topological Polar Surface Area40.500 Ų
Heavy Atom Count19
Formal Charge0
Complexity232.000
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
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