Triacetin - CAS 102-76-1

Catalog:	BB000942
Product Name:	Triacetin
CAS:	102-76-1
Synonyms:	1,2,3-Propanetriol, 1,2,3-triacetate; 1,2,3-Propanetriol, triacetate; 1,2,3-Triacetoxypropane; 1,3-Bis(acetyloxy)propan-2-yl acetate; Alphacure 920; Captex 500; DAR 150; DRA 150; DRA-150; Edenor GTA; Edenor GTA Kosher; Enzactin; Estol 1581; Fungacetin; Glycerin triacetate; Glycerol triacetate; Glyceryl triacetate; Glyped; GTA; Kesscoflex TRA; Kollisolv GTA; NSC 4796; Priacetin 1580; Priacetin 1581; Speziol GTA; Triacetain glycerol; Triacetin 1584; Triacetine; Triacetylglycerin; Triacetylglycerol; Ujostabil; Vanay

Technical Data

Related CAS:	2102168-03-4 (Deleted CAS)
IUPAC Name:	2,3-diacetyloxypropyl acetate
Description:	Triacetin, an non-ionic surfactant, could be widely used because of its characteristics like dispersion, emulsification and solubilization capacity.
Molecular Weight:	218.20
Molecular Formula:	C9H14O6
Canonical SMILES:	CC(=O)OCC(COC(=O)C)OC(=O)C
InChI:	InChI=1S/C9H14O6/c1-6(10)13-4-9(15-8(3)12)5-14-7(2)11/h9H,4-5H2,1-3H3
InChI Key:	URAYPUMNDPQOKB-UHFFFAOYSA-N
Boiling Point:	258-260°C
Melting Point:	-78°C
Flash Point:	144 °C
Purity:	≥95%
Density:	1.1562 g/cm³
Solubility:	Soluble in Chloroform (Slightly), Ethyl Acetate (Slightly)
Appearance:	Clear Colourless Oily Matter
Storage:	Store at -20°C
Decomposition:	When heated to decomposition it emits acrid smoke and irritating fumes
MDL:	MFCD00008716
LogP:	0.04430
Refractive Index:	1.43
Stability:	Stable. Incompatible with strong oxidizing agents. Combustible.
Vapor Pressure:	0.0141mmHg at 25°C

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PMID	Publication Date	Title	Journal
30738890	20190601	Primary human bronchial epithelial cell responses to diesel and biodiesel emissions at an air-liquid interface	Toxicology in vitro : an international journal published in association with BIBRA
23571415	20130601	Structure-based identification of OATP1B1/3 inhibitors	Molecular pharmacology
22863357	20121001	Requirement of lid2 for interfacial activation of a family I.3 lipase with unique two lid structures	The FEBS journal
22722683	20120801	Long-living structures of photochromic salicylaldehyde azine: polarity and viscosity effects from nanoseconds to hours	Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology
21924224	20120701	Nanoemulsions as self-emulsified drug delivery carriers for enhanced permeability of the poorly water-soluble selective β₁-adrenoreceptor blocker Talinolol	Nanomedicine : nanotechnology, biology, and medicine

Complexity:	229
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	218.07903816
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	218.07903816
Rotatable Bond Count:	8
Topological Polar Surface Area:	78.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.2