Trimethyl citrate - CAS 1587-20-8

Catalog:	BB011460
Product Name:	Trimethyl citrate
CAS:	1587-20-8
Synonyms:	Citric acid, trimethyl ester

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	trimethyl 2-hydroxypropane-1,2,3-tricarboxylate
Description:	Trimethyl citrate is a reagent used in the preparation of citrate-ciprofloxacin conjugates which has antibacterial activity.
Molecular Weight:	234.20
Molecular Formula:	C9H14O7
Canonical SMILES:	COC(=O)CC(CC(=O)OC)(C(=O)OC)O
InChI:	InChI=1S/C9H14O7/c1-14-6(10)4-9(13,8(12)16-3)5-7(11)15-2/h13H,4-5H2,1-3H3
InChI Key:	HDDLVZWGOPWKFW-UHFFFAOYSA-N
Boiling Point:	176 °C at 16 mmHg
Melting Point:	79 °C
Purity:	98%
Density:	1.265 g/cm³
Appearance:	White to almost white powder to crystal
MDL:	MFCD00025889
LogP:	-0.98330

Publication Number	Title	Priority Date
WO-2021122684-A1	Dodecandien-1-ol and dodecen-1-ol or mixtures thereof as aroma chemicals	20191220
WO-2021124125-A1	Process for the preparation of a bonding resin	20191220
WO-2021124129-A1	Process for preparing a bonding resin	20191220
US-2021190742-A1	Intelligent compositions, packaging, and methods thereof	20191219
WO-2021123922-A1	Intelligent compositions, packaging, and methods thereof	20191219

PMID	Publication Date	Title	Journal
20345375	20100501	The isolation of citric acid derivatives from Aspergillus niger	FEMS microbiology letters
18831204	20080601	[Studies on chemical constituents of Dioscorea opposita]	Zhongguo Zhong yao za zhi = Zhongguo zhongyao zazhi = China journal of Chinese materia medica
15058205	20031201	[Studies on constituents of Rosa bracteata fruits(II)]	Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials
14526909	20031001	Suppressive effect of the SOS-inducing activity of chemical mutagen by citric acid esters from Prunus mume Sieb. Et Zucc. using the Salmonella typhimurium TA1535/pSK1002 umu test	Natural product research
11235812	20010201	Monoamine oxidase B inhibitors from the fruits of Opuntia ficus-indica var. saboten	Archives of pharmacal research

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Complexity:	266
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	234.07395278
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	7
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	234.07395278
Rotatable Bond Count:	8
Topological Polar Surface Area:	99.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-1