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Síntesis química
Dibutyl 3-hydroxybutyl phosphate , CAS No.89197-69-3

Dibutyl 3-hydroxybutyl phosphate , CAS No.89197-69-3

Name: Dibutyl 3-hydroxybutyl phosphate , CAS No.89197-69-3
SKU: D993932
Availability: InStock

CAS: 89197-69-3 Cat. No.: D993932 Fórmula: C₁₂H₂₇O₅P Peso molecular: 282.31 PubChem CID: 187696

COA

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Storage

Room temperature

Specifications Nombres e identificadores Documentation Advanced Data Taxonomic Classification Estructura 3D Certificados (CoA, COO, BSE/TSE y tabla de análisis) Propiedades químicas y físicas Calculadoras de soluciones Reseñas

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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

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

Sonrisas canónicas	CCCCOP(=O)(OCCCC)OCCC(C)O
IUPAC Name	dibutyl 3-hydroxybutyl phosphate
InChIKey	LJBNHONKIDIOPD-UHFFFAOYSA-N
INCHI	1S/C12H27O5P/c1-4-6-9-15-18(14,16-10-7-5-2)17-11-8-12(3)13/h12-13H,4-11H2,1-3H3
Isómeros SMILES	CCCCOP(=O)(OCCCC)OCCC(C)O
PubChem CID	187696
Peso molecular	282.31

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 Organic acids and derivatives
  - Clase Organic phosphoric acids and derivatives
    - Subclass Phosphate esters
      - Level5 Alkyl phosphates
        Level6 Trialkyl phosphates

Kingdom	Organic compounds
Superclass	Organic acids and derivatives
Clase	Organic phosphoric acids and derivatives
Subclass	Phosphate esters
Intermediate Tree Nodes	Alkyl phosphates
Direct Parent	Trialkyl phosphates
Alternative Parents	Secondary alcohols Organic oxides Hydrocarbon derivatives
Molecular Framework	Aliphatic acyclic compounds
Substituents	Trialkyl phosphate - Secondary alcohol - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Alcohol - Aliphatic acyclic compound
Descripción	This compound belongs to the class of organic compounds known as trialkyl phosphates. These are organic compounds containing a phosphate group that is linked to exactly three alkyl chains.
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

Estructura 3D

Certificados (CoA, COO, BSE/TSE y tabla de análisis)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Propiedades químicas y físicas

Peso molecular	282.310 g/mol
XLogP3	2.100
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	12
Exact Mass	282.16 Da
Monoisotopic Mass	282.16 Da
Topological Polar Surface Area	65.000 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	221.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
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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