Phthalate
Also known as Phthalic Acid Ester, benzene-1,2-dicarboxylate, phthalate(2-)
Key facts
What buyers check first
- CAS number
- 3198-29-6
- Formula
- C8H4O4-2
- Molar mass
- 164.12 g/mol
- HS code
- 291739
- Category
- Carboxylic acids and anhydrides
What is Phthalate?
Plain description, key identifiers and synonyms
Phthalate(2-) is a phthalate that is the dianion obtained by the deprotonation of both the carboxy groups of phthalic acid. It has a role as a human xenobiotic metabolite. It is a phthalate and a dicarboxylic acid dianion. It is a conjugate base of a phthalate(1-).
Phthalate is a dianion of phthalic acid.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- phthalate
- CAS number
- 3198-29-6 CAS number cross-checked
- Molecular formula
- C8H4O4-2
- InChIKey
- XNGIFLGASWRNHJ-UHFFFAOYSA-L
- InChI
- InChI=1S/C8H6O4/c9-7(10)5-3-1-2-4-6(5)8(11)12/h1-4H,(H,9,10)(H,11,12)/p-2
- SMILES (canonical and isomeric)
- C1=CC=C(C(=C1)C(=O)[O-])C(=O)[O-]
Synonyms
- Phthalic Acid Ester
- benzene-1,2-dicarboxylate
- phthalate(2-)
- z phthalate
- 1,2-Phthalate
- 3c2r
- 1,2-benzenedicarboxylate
- 1,2-Benzenecarboxylic acid
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 164.12 g/molcalc.Computed value |
|---|---|
| Exact mass | 164.0121 Dacalc.Computed value |
| LogP (octanol/water) | -1.59calc.Computed value |
| Topological polar surface area | 80.26 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 4calc.Computed value |
| Rotatable bonds | 2calc.Computed value |
| Heavy atoms | 12calc.Computed value |
| Rings | 1calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0calc.Computed value |
| Formal charge | -2calc.Computed value |
| Stereocentres | 0calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
Safety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Phthalate suppliers
Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings
- Vietnam ManufacturerUnclaimed profilePhthalateGrade, purity and minimum order on requestPrice on request
- Price on request
- Hong Kong, CentralUnclaimed profilePhthalateGrade, purity and minimum order on requestPrice on request
Suppliers marked Unclaimed profile have not claimed their profile yet. They are not verified by CompoundList, their offers are price on request and details may have changed, so please confirm them with the supplier. Company representatives can claim a profile with a business email on the company's own website domain. Our team verifies each claim and sends the result by email.
Where suppliers are based
4 suppliers in 4 countries
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Phthalate price
Indicative price range per kg from live supplier offers
Suppliers quote this chemical on request. Send one free request and compare quotes side by side.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Roles
- animal metabolite
- eukaryotic metabolite
- human metabolite
- human xenobiotic metabolite
- mammalian metabolite
- metabolite
- xenobiotic metabolite
Functional uses
- Plasticizer
Pharmacology
Phthalate is a family of benzene derivatives that are formed by esterification of phthalic acid. Phthalates are added to increase the flexibility and softness of commercial plastics, which are incorporated into a wide variety of consumer goods. Ingested phthalates may exhibit estrogenic or antiandrogenic effects or they may act as endocrine disruptors. Exposure to phthalate may increase the risk of certain cancers.
Regulatory status
Inventories, regulations and trade controls that list this substance
No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.
HS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Phthalate is traded under.
Aromatic polycarboxylic acids, not elsewhere classified in subheading 2917.3
- China31.7%
- South Korea12.9%
- United States9.8%
- Egypt12.7%
- United States12.5%
- China10.3%
The HS code shown for Phthalate is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Frequently asked questions
Quick answers about Phthalate, based on the data on this page
What is Phthalate?
What is the CAS number of Phthalate?
What is the molecular formula and weight of Phthalate?
What is Phthalate used for?
Is Phthalate hazardous?
What is the HS code of Phthalate?
Where can I buy Phthalate?
What is the price of Phthalate?
Guides for buyers
Practical guides that help when you source, ship or handle Phthalate
- Article, SourcingHow to write an RFQ that gets fast and accurate quotesWhat suppliers need to quote quickly and comparably: exact product identity, quantity and packing, delivery terms, documents, samples and payment, with a ready to use template.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
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