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1,3-Bis(3-hydroxy-3-pentyl)benzene - ≥90%(GC) , CAS No.676465-94-4

1,3-Bis(3-hydroxy-3-pentyl)benzene - ≥90%(GC) , CAS No.676465-94-4

Name: 1,3-Bis(3-hydroxy-3-pentyl)benzene - ≥90%(GC) , CAS No.676465-94-4
Brand: Aladdin Scientific
SKU: B151830
Availability: InStock

CAS: 676465-94-4 Cat. No.: B151830 Molecular Weight: 250.38 EC Number: 679-561-4

COA

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1,3-Bis(3-hydroxy-3-pentyl)benzene - ≥90%(GC) CAS No(676465-94-4) by Aladdin Scientific

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AVAILABLE TO ORDER

GRADE & PURITY ≥90%(GC)

Synonyms

Storage

Room temperature

Shipped In

Normal

Specifications Names and Identifiers Documentation Advanced Data Taxonomic Classification 3D Structure Certificates（CoA,COO,BSE/TSE and Analysis Chart) Chemical and Physical Properties Solution Calculators Reviews

🧪

Why this grade

≥90%(GC) 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

Specifications & Purity

≥90%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥90%(GC)

Names and Identifiers

Pubchem Sid	488201042
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488201042
Canonical Smiles	CCC(CC)(C1=CC(=CC=C1)C(CC)(CC)O)O
IUPAC Name	3-[3-(3-hydroxypentan-3-yl)phenyl]pentan-3-ol
InChIKey	DBVBDLSFXMYKIU-UHFFFAOYSA-N
INCHI	1S/C16H26O2/c1-5-15(17,6-2)13-10-9-11-14(12-13)16(18,7-3)8-4/h9-12,17-18H,5-8H2,1-4H3
Isomeric SMILES	CCC(CC)(C1=CC(=CC=C1)C(CC)(CC)O)O
Molecular Weight	250.38
Reaxy-Rn	15844260
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=15844260&ln=

Documentation

📋 Safety Data Sheet (SDS)

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

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✅ 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

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Phenylpropanes

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Phenylpropanes
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpropanes
Alternative Parents	Tertiary alcohols Hydrocarbon derivatives Aromatic alcohols
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Phenylpropane - Tertiary alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D Structure

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.

5 results found

Lot Number	Certificate Type	Date	Item
C23151029	Certificate of Analysis	Oct 27, 2022	B151830
C23151030	Certificate of Analysis	Oct 27, 2022	B151830
L2209068	Certificate of Analysis	Oct 27, 2022	B151830
L2209069	Certificate of Analysis	Oct 27, 2022	B151830
L2209287	Certificate of Analysis	Oct 27, 2022	B151830

Chemical and Physical Properties

Molecular Weight	250.380 g/mol
XLogP3	3.400
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Exact Mass	250.193 Da
Monoisotopic Mass	250.193 Da
Topological Polar Surface Area	40.500 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	217.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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