ChemicalBook--->CAS DataBase List--->1679-64-7

1679-64-7

1679-64-7 Structure

1679-64-7 Structure
IdentificationMore
[Name]

mono-Methyl terephthalate
[CAS]

1679-64-7
[Synonyms]

1,4-BENZENEDICARBOXYLIC ACID, MONOMETHYL ESTER
4-(METHOXYCARBONYL)BENZOIC ACID
METHYL HYDROGEN TEREPHTHALATE
MONO-METHYL TEREPHTHALATE
RARECHEM AL BE 0109
TEREPHTHALIC ACID MONOMETHYL ESTER
(4-carboxyphenyl)-aceticaci
4-(carbomethoxy)benzoicacid
Hydrogen methyl terephthalate
hydrogenmethylterephthalate
mono-methylterephthlate
p-carboxy-alpha-toluicacid
terephthaltcacidmonomethylaester
Monomethyl ester
Tetraphthalic acid
Mmt(Mono-MethylTerephthalate)
Mono-methyl terephthalate (MMT)
MMT
Methyl 4-carboxybenzoate
mono-Methyl terephthalate ,97%
[EINECS(EC#)]

216-849-7
[Molecular Formula]

C9H8O4
[MDL Number]

MFCD00002557
[Molecular Weight]

180.16
[MOL File]

1679-64-7.mol
Chemical PropertiesBack Directory
[Appearance]

white to off-white powder
[Melting point ]

220-223 °C (lit.)
[Boiling point ]

232.96°C (rough estimate)
[density ]

1.1987 (rough estimate)
[refractive index ]

1.4209 (estimate)
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

chloroform/methanol: soluble50mg/mL, clear, colorless (1:1)
[form ]

Powder
[pka]

3.77±0.10(Predicted)
[color ]

White to off-white
[Water Solubility ]

Slightly soluble in water. Also soluble in methanol, benzene and ether.
[Detection Methods]

HPLC
[BRN ]

1911082
[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)c1ccc(cc1)C(O)=O
[CAS DataBase Reference]

1679-64-7(CAS DataBase Reference)
[NIST Chemistry Reference]

Monomethyl terephthalate(1679-64-7)
[EPA Substance Registry System]

1,4-Benzenedicarboxylic acid, monomethyl ester (1679-64-7)
Questions And AnswerBack Directory
[Preparation]

Monomethyl terephthalate was prepared by hydrolyzing dimethyl terephthalate in KOH methanol solution and then acidifying it with hydrochloric acid, with a product yield of 91.2%.
[Description]

The mono-methyl terephthalate is a kind of phthalate ester. It can be obtained during the hydrolytical transformation process of dimethyl terephthalate (DMT) by some microbes such as Rhodococcus rubber and Pasteurella multocida. It is also the intermediate during the manufacturing of dimethyl terephthalate, terephthalic acid and some other derivatives. As the ester form of terephthalate, it is widely used for the manufacturing of plastics, paints, synthetic fibers and polyester.
[References]

Schoengen, Anton, Georg Schreiber, and Heinz Schroeder. U.S. Patent No. 4,302,595. 24 Nov. 1981.
Li, Jiaxi, Ji-Dong Gu, and Li Pan. International Biodeterioration & Biodegradation 55.3 (2005): 223-232.
Li, Jiaxi, Ji-Dong Gu, and Jun-hua Yao. International Biodeterioration & Biodegradation 56.3 (2005): 158-165.
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H315-H319-H335
[Precautionary statements ]

P261-P280a-P304+P340-P305+P351+P338-P405-P501a
[Hazard Codes ]

Xi
[Risk Statements ]

R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ]

S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36:Wear suitable protective clothing .
S37/39:Wear suitable gloves and eye/face protection .
[WGK Germany ]

3
[TSCA ]

Yes
[HazardClass ]

IRRITANT
[HS Code ]

29173980
[Storage Class]

11 - Combustible Solids
[Hazardous Substances Data]

1679-64-7(Hazardous Substances Data)
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Hydrochloric acid-->Ethyl acetate-->Methanol-->Diethyl ether-->Tetrahydrofuran-->Potassium hydroxide-->Dimethyl terephthalate-->4-(tert-Butoxycarbonyl)benzoic acid
[Preparation Products]

Dimethyl terephthalate-->Micafungin Side Chain Methyl Ester-->Terephthalic acid 2-hydroxyethyl methyl ester-->4-Carbomethoxy-cyclohexane-1-carboxylic acid-->(4-Aminomethyl-phenyl)-methanol
Material Safety Data Sheet(MSDS)Back Directory
[msds information]

1,4-Benzenedicarboxylic acid monomethyl ester(1679-64-7).msds
Hazard InformationBack Directory
[Chemical Properties]

white to off-white powder
[Uses]

mono-Methyl Terephthalate is used in the synthesis of Hepatits C antiviral activity. Also used in the design and preparation of benzamide derivatives as BRAFV600E inhibitors, which if mutated, can influence malignancies and melanomas.
Spectrum DetailBack Directory
[Spectrum Detail]

mono-Methyl terephthalate(1679-64-7)1HNMR
mono-Methyl terephthalate(1679-64-7)IR1
mono-Methyl terephthalate(1679-64-7)IR2
mono-Methyl terephthalate(1679-64-7)Raman
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

mono-Methyl terephthalate, 97%(1679-64-7)
[Sigma Aldrich]

1679-64-7(sigmaaldrich)
[TCI AMERICA]

Monomethyl Terephthalate,>97.0%(T)(1679-64-7)
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