Name: Benzyl butyl phthalate solution - analytical standard, 1000ug/ml in methanol , CAS No.85-68-7
SKU: B109814
Availability: InStock

Benzyl butyl phthalate solution - analytical standard, 1000ug/ml in methanol , CAS No.85-68-7

CAS: 85-68-7 Cat. No.: B109814 Summenformel: C₁₉H₂₀O₄ Molekulargewicht: 312.36 Beilstein Registry Number: 2062204 EG-Nummer: 201-622-7

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GRADE & PURITY Analytical standard ? 1000ug/ml in methanol

Synonyms

Storage

Room temperature

Shipped In

Normal

Specifications Namen und Kennungen Documentation Advanced Data Taxonomic Classification 3D-Struktur Zugehörige Ziele (menschlich) Zugehörige Ziele (nicht menschlich) Wirkungsmechanismen Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Citations of This Product Lösungsrechner Bewertungen

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Why this grade

analytical standard, 1000ug/ml in methanol Analytischer Standard for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal 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 96 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.

Specifications

Synonyme

Spezifikationen & Reinheit

analytical standard, 1000ug/ml in methanol

Storage

Room temperature

Verschickt in

Normal

Note

Analytischer Standard

Namen und Kennungen

Kanonisches Lächeln

CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2

IUPAC Name

2-O-benzyl 1-O-butyl benzene-1,2-dicarboxylate

InChIKey

IRIAEXORFWYRCZ-UHFFFAOYSA-N

INCHI

1S/C19H20O4/c1-2-3-13-22-18(20)16-11-7-8-12-17(16)19(21)23-14-15-9-5-4-6-10-15/h4-12H,2-3,13-14H2,1H3

Isomere SMILES

CCCCOC(=O)C1=CC=CC=C1C(=O)OCC2=CC=CC=C2

WGK Deutschland

RTECS

TH9990000

UN-Nummer

3082

Verpackungsgruppe

III

Molekulargewicht

312.36

Beilstein

2062204

Reaxy-Rn

2062204

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2062204&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

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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
  - Klasse Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives

Kingdom	Organic compounds
Superclass	Benzenoids
Klasse	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acid esters
Alternative Parents	Benzyloxycarbonyls Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acid esters Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzyloxycarbonyl - Benzoate ester - Benzoyl - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Aromatic homomonocyclic compound
Beschreibung	This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors	Phthalates
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-Struktur

Zugehörige Ziele (menschlich)

ESR1 Tclin Estrogen receptor alpha (17718 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

AR Tclin Androgen Receptor (11781 Activities)

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TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

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PPARG Tclin Peroxisome proliferator-activated receptor gamma (15191 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

KCNH2 Tclin HERG (29587 Activities)

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THRB Tclin Thyroid hormone receptor beta-1 (7926 Activities)

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ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

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GLP1R Tclin Glucagon-like peptide 1 receptor (111429 Activities)

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CYP3A4 Tclin Cytochrome P450 3A4 (53859 Activities)

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KDM4A Tchem Lysine-specific demethylase 4A (52245 Activities)

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TDP1 Tchem Tyrosyl-DNA phosphodiesterase 1 (345557 Activities)

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L3MBTL1 Tchem Lethal(3)malignant brain tumor-like protein 1 (14536 Activities)

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CBX1 Tbio Chromobox protein homolog 1 (92434 Activities)

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BAZ2B Tchem Bromodomain adjacent to zinc finger domain protein 2B (56204 Activities)

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USP1 Tchem Ubiquitin carboxyl-terminal hydrolase 1 (22556 Activities)

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RAPGEF4 Tchem Rap guanine nucleotide exchange factor 4 (11476 Activities)

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Zugehörige Ziele (nicht menschlich)

Mapk1 MAP kinase ERK2 (650 Activities)

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Galc Galactocerebrosidase (11 Activities)

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Nfe2l2 Nuclear factor erythroid 2-related factor 2 (214 Activities)

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Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Rorc Nuclear receptor ROR-gamma (89407 Activities)

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Wirkungsmechanismen

Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)

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.

3 results found

Lot Number	Certificate Type	Datum	Artikel
C2226017	Certificate of Analysis	Oct 11, 2025	B109814
D2109087	Certificate of Analysis	Oct 18, 2024	B109814
C2226538	Certificate of Analysis	Jan 08, 2024	B109814

Chemische und physikalische Eigenschaften

Brechungsindex	1.54
Flammpunkt (°C)	213 °C
Siedepunkt (°C)	250 °C/22.5 mmHg
Molekulargewicht	312.400 g/mol
XLogP3	4.900
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	312.136 Da
Monoisotopic Mass	312.136 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	374.000
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

Citations of This Product

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Lösungsrechner

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Bewertungen

📚 Citations by Application

Organic synthesis — reaction medium19

Other applications37

Extraction & workup solvent49

Chromatography (HPLC / GC / TLC)38

Cell viability5

Drug / compound screening6

Industrial & non-pharma application6

Electrochemistry & battery electrolyte1

Cytotoxicity screening4

Spectroscopy sample preparation5

Cell proliferation2

Polymer synthesis & polymerization1

View all 96 citations →

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