1,3,5-Benzenetrimethanol - ≥95%(GC) , CAS No.4464-18-0

CAS: 4464-18-0 Cat. No.: B138852 Molecular Weight: 168.19 Beilstein Registry Number: 6(4)7413
AVAILABLE TO ORDER
GRADE & PURITY ≥95%(GC)
Synonyms
1,3,5-Tris(hydroxymethyl)benzene | 1,3,5-tris(hydroxylmethyl)benzene | FT-0683862 | AKOS004903525 | YSWG192 | SCHEMBL63159 | SQAMZFDWYRVIMG-UHFFFAOYSA-N | STL556870 | 1,3,5-tris[Hydroxymethyl]benzene | DTXSID60372710 | ?1,3,5-Benzenetrimethanol | AS-38846
Storage
Room temperature
Shipped In
Normal
 ·  off list, applied to all prices below.
Size
Status
Price
Qty
1g
B138852-1g
5

$25.90

$38.90
Save $13.00 (33.42%)
5g
B138852-5g
1

$45.90

$68.90
Save $23.00 (33.38%)
25g
B138852-25g
1

$216.90

$325.90
Save $109.00 (33.45%)
100g
B138852-100g
1

$866.90

$1,300.90
Save $434.00 (33.36%)
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Why this grade

≥95%(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 1 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyms
1, 3, 5-Tris(hydroxymethyl)benzene | 1, 3, 5-tris(hydroxylmethyl)benzene | FT-0683862 | AKOS004903525 | YSWG192 | SCHEMBL63159 | SQAMZFDWYRVIMG-UHFFFAOYSA-N | STL556870 | 1, 3, 5-tris[Hydroxymethyl]benzene | DTXSID60372710 | ?1, 3, 5-Benzenetrimethanol | AS-38846
Specifications & Purity
≥95%(GC)
Storage
Room temperature
Shipped In
Normal
Purity
≥95%(GC)
Names and Identifiers
Pubchem Sid504761412
Pubchem Sid Urlhttps://pubchem.ncbi.nlm.nih.gov/substance/504761412
Canonical SmilesC1=C(C=C(C=C1CO)CO)CO
IUPAC Name[3,5-bis(hydroxymethyl)phenyl]methanol
InChIKeySQAMZFDWYRVIMG-UHFFFAOYSA-N
INCHI1S/C9H12O3/c10-4-7-1-8(5-11)3-9(2-7)6-12/h1-3,10-12H,4-6H2
Isomeric SMILES C1=C(C=C(C=C1CO)CO)CO
MeSH Entry Terms C9H12O3
Molecular Weight 168.19
Beilstein 6(4)7413
Reaxy-Rn 2045867
Reaxys-RN_link_address https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2045867&ln=

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
SuperclassBenzenoids
ClassBenzene and substituted derivatives
SubclassBenzyl alcohols
Intermediate Tree Nodes Not available
Direct ParentBenzyl alcohols
Alternative Parents Primary alcohols  Hydrocarbon derivatives  Aromatic alcohols  
Molecular FrameworkAromatic homomonocyclic compounds
Substituents Benzyl alcohol - Organic oxygen compound - Hydrocarbon derivative - Aromatic alcohol - Primary alcohol - Organooxygen compound - Alcohol - Aromatic homomonocyclic compound
DescriptionThis compound belongs to the class of organic compounds known as benzyl alcohols. These are organic compounds containing the phenylmethanol substructure.
External Descriptors Not available
3D Structure
Interactive Chemical Structure Model





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.

8 results found

Lot NumberCertificate TypeDateItem
C2219038Certificate of AnalysisJan 19, 2026 B138852
C2219057Certificate of AnalysisJan 19, 2026 B138852
C2219068Certificate of AnalysisJan 19, 2026 B138852
K2528536Certificate of AnalysisNov 29, 2025 B138852
H2020053Certificate of AnalysisJun 04, 2024 B138852
E2327504Certificate of AnalysisFeb 14, 2022 B138852
E2428075Certificate of AnalysisFeb 14, 2022 B138852
I2508028Certificate of AnalysisFeb 14, 2022 B138852
Chemical and Physical Properties
SolubilitySoluble in Methanol
Melt Point(°C)78 °C
Molecular Weight168.190 g/mol
XLogP3-0.700
Hydrogen Bond Donor Count3
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass168.079 Da
Monoisotopic Mass168.079 Da
Topological Polar Surface Area60.700 Ų
Heavy Atom Count12
Formal Charge0
Complexity91.200
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
Citations of This Product
References
1. Ximin Chen, Long Jiang, Yaojie Liu, Lulu Zhang, Debin Yang, Xiaomeng Su, Zongjiang Yu, Mo Xian, Chao Xu.  (2023)  Theoretical calculation guided molecularly imprinted polymer for selective adsorption of phloroglucinol.  Journal of Environmental Chemical Engineering,      [PMID:] [10.1016/j.jece.2023.110229]
Solution Calculators
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