Dimethyl terephthalate - CAS 120-61-6

Catalog:	BB004921
Product Name:	Dimethyl terephthalate
CAS:	120-61-6
Synonyms:	dimethyl benzene-1,4-dicarboxylate

Technical Data

IUPAC Name:	dimethyl benzene-1,4-dicarboxylate
Description:	Dimethyl terephthalate (CAS# 120-61-6) is a derivative of terephthalic acid (T112500), a benzenepolycarboxylic acid with potential anti-hemorrhagic properties.
Molecular Weight:	194.18
Molecular Formula:	C10H10O4
Canonical SMILES:	COC(=O)C1=CC=C(C=C1)C(=O)OC
InChI:	InChI=1S/C10H10O4/c1-13-9(11)7-3-5-8(6-4-7)10(12)14-2/h3-6H,1-2H3
InChI Key:	WOZVHXUHUFLZGK-UHFFFAOYSA-N
Boiling Point:	288 ℃
Melting Point:	140-143ºC
Flash Point:	154ºC
Purity:	99%
Density:	1.29 g/cm³
Solubility:	less than 1 mg/mL at 55° F (NTP, 1992);9.78e-05 M;Soluble in ether and hot alcohol;Soluble in chloroform; slightly soluble in ethanol. methanol;0.3 G/ML IN HOT WATER;In water, 19 mg/L at 25 °C;Solubility in water at 13 °C: very poor
Appearance:	White chunks
Decomposition:	When heated to decomposition it emits acrid smoke and irritating fumes
MDL:	MFCD00008440
LogP:	1.25980
Refractive Index:	1.4752
Stability:	Stable. Incompatible with strong acids, strong bases, strong oxidizing agents.
Vapor Pressure:	1.15 mm Hg ( 93 °C)

GHS Hazard Statement:	H317 (57.98%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P264, P272, P273, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021124149-A1	Process for purifying bis(2-hydroxyethyl)terephthalate	20191220
WO-2021126661-A1	Catalysts for pet methanolysis	20191220
EP-3838976-A1	Process for degrading plastic products	20191219
WO-2021122094-A1	Optimized method for depolymerizing a polyester comprising polyethylene terephthalate	20191219
WO-2021122095-A1	Improved method for depolymerizing a polyester comprising polyethylene terephthalate	20191219

PMID	Publication Date	Title	Journal
26289545	20151101	Effect of chronic exposure to two components of Tritan copolyester on Daphnia magna, Moina macrocopa, and Oryzias latipes, and potential mechanisms of endocrine disruption using H295R cells	Ecotoxicology (London, England)
22343188	20120601	Lack of androgenicity and estrogenicity of the three monomers used in Eastman's Tritan™ copolyesters	Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association
22002630	20120501	Inhibitory effect of compounds from Goniothalamus tapis Miq. and Goniothalamus uvaroides King on platelet-activating factor receptor binding	Phytotherapy research : PTR
22050403	20120101	Toxicological review and oral risk assessment of terephthalic acid (TPA) and its esters: A category approach	Critical reviews in toxicology
22222838	20120101	Degradation of Phthalate Esters by Fusarium sp. DMT-5-3 and Trichosporon sp. DMI-5-1 Isolated from Mangrove Sediments	Progress in molecular and subcellular biology

Complexity:	192
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	194.05790880
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	194.05790880
Rotatable Bond Count:	4
Topological Polar Surface Area:	52.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2