Phenols

Diethyl Phthalate

邻苯二甲酸二乙酯

PHY-NP-15815 · Natural product research catalog

Catalog number	PHY-NP-15815
CAS number	84-66-2
Molecular formula	C₁₂H₁₄O₄
Molecular weight	222.24 g/mol
Chemical class	Phenols
Main reported source	Microcystis aeruginosa
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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20 mg	Request quote	To be confirmed	Confirm in quotation
50 mg	Request quote	To be confirmed	Confirm in quotation
100 mg	Request quote	To be confirmed	Confirm in quotation

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Diethyl Phthalate is listed in the Phenols section of the Phytide Bio research catalog. Standard pack sizes are 5, 10, 20, 50 and 100 mg.

For research use only. Not for human or veterinary use, diagnosis or treatment.

IUPAC name	diethyl benzene-1,2-dicarboxylate
SMILES	CCOC(=O)C1=CC=CC=C1C(=O)OCC
InChIKey	FLKPEMZONWLCSK-UHFFFAOYSA-N
Subclass / scaffold	酚酸：Shikimic acids and derivatives Simple phenolic acids
PubChem CID	6781

Calculated values from the supplied dataset; not measured batch specifications.

View additional properties & classification

Ring count	1
Aromatic rings	1
Fraction Csp³	0.333
Synthetic accessibility score	1.52
QED score	0.731
Lipinski rule violations	0
NPClassifier pathway	Shikimates and Phenylpropanoids
NPClassifier superclass	Phenolic acids (C6-C1)
NPClassifier class	Shikimic acids and derivatives；Simple phenolic acids
Parent SMILES	CCOC(=O)c1ccccc1C(=O)OCC
Parent formula	C₁₂H₁₄O₄
Parent molecular weight	222.24
Specified stereocenters	0
Unspecified stereocenters	0

Main reported source	Microcystis aeruginosa
Reported source families	Alliaceae; Poaceae; Apiaceae

Reported natural occurrence does not establish the manufacturing origin of the supplied material.

View occurrence records & references

LOTUS / Wikidata species	Microcystis aeruginosa[4]; Streptomyces cheonanensis[3]; Allium ampeloprasum[1]; Eleutherococcus sessiliflorus[1]; Festuca arundinacea[1]; Festuca rubra[1]; Helicobacter pylori[1]; Illicium anisatum[1]; Nicotiana tabacum[1]; Oenanthe fistulosa[1]; Oenanthe javanica[1]; Osmanthus fragrans[1]; ginger[1]; onion[1]
All reported source families	Alliaceae[2]; Poaceae[2]; Apiaceae[2]; Microcystaceae[1]; Streptomycetaceae[1]; Araliaceae[1]
LOTUS species records	14
LOTUS reference records	17
COCONUT occurrence records	Allium ampeloprasum; Allium cepa; Artemisia argyi; Artemisia capillaris; Artemisia montana; Artemisia princeps; Avicennia marina; Chaenomeles sinensis; Citrus aurantium; Citrus natsudaidai; Citrus sinensis; Citrus trifoliata; Combretum indicum; Eleutherococcus sessiliflorus; Eucheuma muricatum; Eupatorium fortunei; Festuca arundinacea; Festuca rubra; Ficus carica; Fumaria bastardii; Helicobacter pylori; Herba glechomae longitubae; Hippophae rhamnoides; Illicium anisatum; Ixora chinensis; Microcystis aeruginosa; Nicotiana tabacum; Oenanthe fistulosa; Oenanthe javanica; Oleum ocimi gratissimi
COCONUT organism records	45
COCONUT identifier	CNP0275362.0

Records are inherited from the supplied dataset and are not independently verified. Taxonomic names may include synonyms.

Certificate of analysis (COA)	Batch-specific COA available on request; no PDF published yet
Safety data sheet (SDS)	Not yet published
Storage / solubility	Product-specific conditions to be confirmed
Shipping	Confirmed with the quotation

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