Phenols

Diisobutyl phthalate

标准物质/正己烷中邻苯二甲酸二异丁酯

PHY-NP-15817 · Natural product research catalog

Catalog number	PHY-NP-15817
CAS number	84-69-5
Molecular formula	C₁₆H₂₂O₄
Molecular weight	278.348 g/mol
Chemical class	Phenols
Main reported source	Entodon luridus
Purity / assay	Min. 98% Other purity specifications available on inquiry.

Chemical structure

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

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Diisobutyl 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	bis(2-methylpropyl) benzene-1,2-dicarboxylate
SMILES	CC(C)COC(=O)C1=CC=CC=C1C(=O)OCC(C)C
InChIKey	MGWAVDBGNNKXQV-UHFFFAOYSA-N
Subclass / scaffold	酚酸：Shikimic acids and derivatives Simple phenolic acids
PubChem CID	6782

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

View additional properties & classification

Ring count	1
Aromatic rings	1
Fraction Csp³	0.5
Synthetic accessibility score	1.91
QED score	0.749
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	CC(C)COC(=O)c1ccccc1C(=O)OCC(C)C
Parent formula	C₁₆H₂₂O₄
Parent molecular weight	278.348
Specified stereocenters	0
Unspecified stereocenters	0

Main reported source	Entodon luridus
Reported source families	Asteraceae; Apiaceae; Solanaceae

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

View occurrence records & references

LOTUS / Wikidata species	Entodon luridus[2]; Apium graveolens[1]; Artemisia baldshuanica[1]; Capsicum annuum[1]; Ceratophyllum demersum[1]; Cryptotaenia canadensis[1]; Dendrobium officinale[1]; Erigeron canadensis[1]; Euphorbia hirta[1]; Lythrum salicaria[1]; Magnolia officinalis[1]; Nicotiana tabacum[1]; Petasites hybridus[1]; Pyrola japonica[1]; Streptomyces filamentosus[1]
All reported source families	Asteraceae[3]; Apiaceae[2]; Solanaceae[2]; Entodontaceae[1]; Ceratophyllaceae[1]; Orchid[1]
LOTUS species records	17
LOTUS reference records	18
COCONUT occurrence records	Acorus gramineus; Acorus tatarinowii; Agrimonia pilosa; Angelica acutiloba; Angelica gigas; Angelica sinensis; Apium graveolens; Aquilaria agallochum; Aquilaria sinensis; Artemisia baldshuanica; Astilbe chinensis; Brassica oleracea; Bupleurum smithii var. parvifolium; Capsicum annuum; Ceratophyllum demersum; Chaenomeles sinensis; Conocephalum conicum; Craibiodendron yunnanese; Cryptotaenia canadensis; Dendrobium officinale; Dichrocephala integrifolia; Entodon luridus; Ephedra sinica; Erigeron canadensis; Eucheuma muricatum; Eucommia ulmoides; Euphorbia hirta; Exodermis poria; Ficus carica; Fructus syzygii
COCONUT organism records	60
COCONUT identifier	CNP0124414.0

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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