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Mono-2-ethylhexyl Phthalate - analytical standard, high purity , CAS No.4376-20-9

15 Citations

COA

Grade & Purity:

analytical standard

Cas Number: 4376-20-9
Molecular Weight: 278.34
PubChem CID: 20393

In stock

Item Number

M114127

Grouped product items
SKU	Size	Availability	Price
M114127-100mg	100mg	5	$68.90
M114127-500mg	500mg	2	$240.90
M114127-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$159.90
M114127-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$479.90

View related series

Endogenous Metabolite (959) Metabolic Enzyme/Protease (4860) Metabolite (5307)

Basic Description

Synonyms	CAS-4376-20-9 \| rac Mono(ethylhexyl) Phthalate-d4 \| 1,2-Benzenedicarboxylic Acid Mono(2-ethylhexyl) Ester \| 2-[(2S)-2-ethylhexoxy]carbonylbenzoic acid \| FT-0600523 \| Phthalic acid hydrogen 1-(2-ethylhexyl) ester \| BRD-A18246003-001-01-1 \| Monoethylhexyl p
Specifications & Purity	analytical standard
Biochemical and Physiological Mechanisms	MEHP is a bioactive metabolite of DEHP which inhibits the 17,20 lyase activity of CYP17. MEHP has been shown to modulate the expression of a broad spectrum of genes, including the downregulation of the steroidogenic genes Insl3, expressed in Leydig cells,
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Grade	analytical standard
Product Description	A bioactive metabolite of DEHP.

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	Benzoic acids Benzoyl derivatives Dicarboxylic acids and derivatives Carboxylic acid esters Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Benzoate ester - Benzoic acid - Benzoyl - Dicarboxylic acid or derivatives - Carboxylic acid ester - Carboxylic acid - 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	dicarboxylic acid monoester - phthalate ester
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

Associated Targets(Human)

NR3C1 Tclin Glucocorticoid receptor (14987 Activities)

Discover Target: NR3C1

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

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

Discover Target: PPARG

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

PPARA Tclin Peroxisome proliferator-activated receptor alpha (9197 Activities)

Discover Target: PPARA

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

NFKB1 Tclin Nuclear factor NF-kappa-B p105 subunit (1459 Activities)

Discover Target: NFKB1

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

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

Discover Target: GLP1R

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

UGT1A9 Tbio UDP-glucuronosyltransferase 1-9 (343 Activities)

Discover Target: UGT1A9

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

Associated Targets(non-human)

Galc Galactocerebrosidase (11 Activities)

Discover Target: Galc

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

Luciferin 4-monooxygenase (66902 Activities)

Explore this target

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

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

Discover Target: Nfe2l2

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

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	2-(2-ethylhexoxycarbonyl)benzoic acid
INCHI	InChI=1S/C16H22O4/c1-3-5-8-12(4-2)11-20-16(19)14-10-7-6-9-13(14)15(17)18/h6-7,9-10,12H,3-5,8,11H2,1-2H3,(H,17,18)
InChIKey	DJDSLBVSSOQSLW-UHFFFAOYSA-N
Smiles	CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)O
Isomeric SMILES	CCCCC(CC)COC(=O)C1=CC=CC=C1C(=O)O
Molecular Weight	278.34
Reaxy-Rn	3206630
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3206630&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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

Analytical Chart:

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9 results found

Lot Number	Certificate Type	Date	Item
K2208295	Certificate of Analysis	Aug 23, 2024	M114127
L2425426	Certificate of Analysis	Apr 13, 2024	M114127
L2425428	Certificate of Analysis	Apr 13, 2024	M114127
J2326496	Certificate of Analysis	Oct 08, 2023	M114127
J2326474	Certificate of Analysis	Oct 08, 2023	M114127
K2117376	Certificate of Analysis	Aug 09, 2023	M114127
K2117360	Certificate of Analysis	Aug 09, 2023	M114127
E2129239	Certificate of Analysis	Mar 10, 2023	M114127
K2208296	Certificate of Analysis	Sep 12, 2022	M114127

Chemical and Physical Properties

Refractive Index	1.5051
Molecular Weight	278.340 g/mol
XLogP3	4.000
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	278.152 Da
Monoisotopic Mass	278.152 Da
Topological Polar Surface Area	63.600 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	314.000
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

Citations of This Product

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