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Diisopropyl phthalate - analytical standard, high purity , CAS No.605-45-8

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Diisopropyl phthalate - analytical standard, high purity , CAS No.605-45-8

1 Citations

COA

Grade & Purity:

analytical standard

Cas Number: 605-45-8
Molecular Weight: 250.29
Beilstein Registry Number: 1972723
EC Number: 210-086-3
MDL number: MFCD00053717
PubChem CID: 11799

In stock

Item Number

D106941

Grouped product items
SKU	Size	Availability	Price	Qty
D106941-100mg	100mg	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$206.90

Basic Description

Synonyms	DIISOPROPYL PHTHALATE \| 605-45-8 \| Phthalic acid, diisopropyl ester \| DIISOPROPYLPHTHALATE \| di-i-propyl phthalate \| 1,2-Benzenedicarboxylic acid, bis(1-methylethyl) ester \| dipropan-2-yl benzene-1,2-dicarboxylate \| BFC138Q4PX \| Phthalic Acid Diisopropyl Ester \| 1,2-Benzen
Specifications & Purity	analytical standard
Shipped In	Normal
Grade	analytical standard

Taxonomic Classification

Taxonomy Tree

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

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Not available
Direct Parent	Benzoic acid esters
Alternative Parents	Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acid esters Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	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
Description	This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
External Descriptors	2-hydroxyisophthalic acid
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

Mechanisms of Action

Mechanism of Action	Action Type	target ID	Target Name	Target Type	Target Organism	Binding Site Name	References

Names and Identifiers

IUPAC Name	dipropan-2-yl benzene-1,2-dicarboxylate
INCHI	InChI=1S/C14H18O4/c1-9(2)17-13(15)11-7-5-6-8-12(11)14(16)18-10(3)4/h5-10H,1-4H3
InChIKey	QWDBCIAVABMJPP-UHFFFAOYSA-N
Smiles	CC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)C
Isomeric SMILES	CC(C)OC(=O)C1=CC=CC=C1C(=O)OC(C)C
WGK Germany	3
RTECS	TI1350000
Molecular Weight	250.29
Beilstein	1972723
Reaxy-Rn	1972723
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1972723&ln=

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.

1 results found

Lot Number	Certificate Type	Date	Item
F1914044	Certificate of Analysis	Jan 04, 2023	D106941

Chemical and Physical Properties

Refractive Index	1.49
Boil Point(°C)	302°C
Melt Point(°C)	20 °C
Molecular Weight	250.290 g/mol
XLogP3	2.800
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	6
Exact Mass	250.121 Da
Monoisotopic Mass	250.121 Da
Topological Polar Surface Area	52.600 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	266.000
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

How to Cite Aladdin Scientific Products?

1. Leng Yue, Sun Yonghai, Huang Wei, Lv Chengyu, Cui Jingyan, Li Tiezhu, Wang Yongjun. (2021) Identification of dicyclohexyl phthalate as a glucocorticoid receptor antagonist by molecular docking and multiple in vitro methods. MOLECULAR BIOLOGY REPORTS, 48 (4): (3145-3154).

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