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mono-Methyl terephthalate - 97%, high purity , CAS No.1679-64-7

1 Citations

COA

Grade & Purity:

≥97%

Cas Number: 1679-64-7
Molecular Weight: 180.16
Beilstein Registry Number: 1911082
EC Number: 216-849-7
MDL number: MFCD00002557
PubChem CID: 15513
PubChem SID: 488182134

In stock

Item Number

M106178

Grouped product items
SKU	Size	Availability	Price
M106178-5g	5g	3	$9.90
M106178-10g	10g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$15.90
M106178-25g	25g	7	$29.90
M106178-100g	100g	9	$106.90
M106178-500g	500g	Available within 4-8 weeks(?) Items will be manufactured post-order and can take 4-8 weeks. Thank you for your patience!	$273.90

View related series

Carboxylate (915) Non heterocyclic block (8163)

Basic Description

Synonyms	BCP08782 \| Acetic acid, (4-carboxyphenyl)- \| A3718 \| Q27278662 \| W-107904 \| NSC210838 \| NSC-210838 \| 4Methoxycarbonylbenzenecarboxylic acid \| 4-Methoxycarbonylbenzenecarboxylic acid \| EN300-21137 \| Terephthalic acid monomethyl ester \| terphthalic acid mon
Specifications & Purity	≥97%
Storage Temp	Desiccated
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzoic acids and derivatives
      - Level5 Phthalic acid and derivatives
        Level6 Phthalate esters
        Level7 p-Phthalate esters

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzoic acids and derivatives
Intermediate Tree Nodes	Phthalic acid and derivatives - Phthalate esters
Direct Parent	p-Phthalate esters
Alternative Parents	P-phthalic acid and derivatives Benzoic acid esters Benzoic acids Benzoyl derivatives Dicarboxylic acids and derivatives Methyl esters Carboxylic acids Organooxygen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Para-phthalic acid ester - Para_phthalic_acid - Benzoate ester - Benzoic acid - Benzoyl - Dicarboxylic acid or derivatives - Methyl ester - 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 p-phthalate esters. These are ester derivatives of p-phthalic acids, which are based on a benzene 1,4-dicarboxylic acid skeleton.
External Descriptors	Not available
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

Names and Identifiers

Pubchem Sid	488182134
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488182134
IUPAC Name	4-methoxycarbonylbenzoic acid
INCHI	InChI=1S/C9H8O4/c1-13-9(12)7-4-2-6(3-5-7)8(10)11/h2-5H,1H3,(H,10,11)
InChIKey	REIDAMBAPLIATC-UHFFFAOYSA-N
Smiles	COC(=O)C1=CC=C(C=C1)C(=O)O
Isomeric SMILES	COC(=O)C1=CC=C(C=C1)C(=O)O
WGK Germany	3
Molecular Weight	180.16
Beilstein	1911082
Reaxy-Rn	1911082
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1911082&ln=

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

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

Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

12 results found

Lot Number	Certificate Type	Date	Item
I2426235	Certificate of Analysis	Jun 13, 2024	M106178
B1619057	Certificate of Analysis	Oct 08, 2023	M106178
E2326772	Certificate of Analysis	Apr 26, 2023	M106178
E2326777	Certificate of Analysis	Apr 26, 2023	M106178
E2327317	Certificate of Analysis	Apr 26, 2023	M106178
E2327327	Certificate of Analysis	Apr 26, 2023	M106178
E2326776	Certificate of Analysis	Apr 26, 2023	M106178
H2206252	Certificate of Analysis	May 30, 2022	M106178
D2318296	Certificate of Analysis	May 30, 2022	M106178
H2206198	Certificate of Analysis	May 30, 2022	M106178
H2206203	Certificate of Analysis	May 30, 2022	M106178
D2318285	Certificate of Analysis	May 30, 2022	M106178

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Chemical and Physical Properties

Solubility	Slightly soluble in water; Soluble in Methanol,Ether,Benzene
Melt Point(°C)	222°C
Molecular Weight	180.160 g/mol
XLogP3	1.900
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	180.042 Da
Monoisotopic Mass	180.042 Da
Topological Polar Surface Area	63.600 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	204.000
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

Citations of This Product

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