Monoheptyl phthalate , CAS No.24539-58-0

Item Number

M333037

Grouped product items
SKU	Size	Availability	Price	Qty
M333037-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$89.90	+-
M333037-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$285.90	+-

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Basic Description

Synonyms	1,2-Benzenedicarboxylicacid,1-heptyl ester \| Phthalic acid mono-n-heptyl ester \| 2-(Heptyloxycarbonyl)benzoic acid \| DTXSID00947421 \| monoheptyl phthalate \| AI3-06033 \| Phthalic acid, monoheptyl ester \| EINECS 272-737-8 \| 2-heptoxycarbonylbenzoic acid \| 1
Specifications & Purity	≥95%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice
Product Description	Monoheptyl Phthalate is a phthalate monoester and the metabolite of Dibutyl Phthalate (D429495), a phthalate metabolite with genotoxic effect.

Names and Identifiers

IUPAC Name	2-heptoxycarbonylbenzoic acid
INCHI	InChI=1S/C15H20O4/c1-2-3-4-5-8-11-19-15(18)13-10-7-6-9-12(13)14(16)17/h6-7,9-10H,2-5,8,11H2,1H3,(H,16,17)
InChi Key	DMVQNBGDYPFJCC-UHFFFAOYSA-N
Canonical SMILES	CCCCCCCOC(=O)C1=CC=CC=C1C(=O)O
Isomeric SMILES	CCCCCCCOC(=O)C1=CC=CC=C1C(=O)O
PubChem CID	111740
Molecular Weight	264.32

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

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2 results found

Lot Number	Certificate Type	Date	Item
H2413374	Certificate of Analysis	Aug 01, 2024	M333037
H2413375	Certificate of Analysis	Aug 01, 2024	M333037

Chemical and Physical Properties

Solubility	DMSO (Sparingly), Methanol (Slightly)
Molecular Weight	264.320 g/mol
XLogP3	4.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	9
Exact Mass	264.136 Da
Monoisotopic Mass	264.136 Da
Topological Polar Surface Area	63.600 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	288.000
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

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Basic Description