Propyl Laurate - CAS 3681-78-5

Catalog:	BB023088
Product Name:	Propyl Laurate
CAS:	3681-78-5
Synonyms:	dodecanoic acid propyl ester; propyl dodecanoate

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Computed Properties

IUPAC Name:	propyl dodecanoate
Description:	Propyl Laurate (CAS# 3681-78-5) is a useful research chemical.
Molecular Weight:	242.40
Molecular Formula:	C15H30O2
Canonical SMILES:	CCCCCCCCCCCC(=O)OCCC
InChI:	InChI=1S/C15H30O2/c1-3-5-6-7-8-9-10-11-12-13-15(16)17-14-4-2/h3-14H2,1-2H3
InChI Key:	FTBUKOLPOATXGV-UHFFFAOYSA-N
Boiling Point:	290.3 °C at 760 mmHg
Density:	0.866 g/cm³
MDL:	MFCD00056190
LogP:	4.86050

Publication Number	Title	Priority Date
EP-3842489-A1	Heterophasic propylene polymer material and use of the same	20191224
US-2021189110-A1	Heterophasic propylene polymer material and use of the same	20191224
EP-3839052-A1	Method for the enzymatic preparation of sugar esters and / or sugar alcohol esters	20191220
WO-2021122971-A1	Process for enzymatically preparing sugar esters and/or sugar alcohol esters	20191220
WO-2021122972-A1	Carboxylic acid esters of xylitol and process for enzymatically preparing same	20191220

PMID	Publication Date	Title	Journal
23112831	20120101	The metagenome-derived enzymes LipS and LipT increase the diversity of known lipases	PloS one
20936129	20110101	Continuous production of lipase-catalyzed biodiesel in a packed-bed reactor: optimization and enzyme reuse study	Journal of biomedicine & biotechnology
15604790	20041001	Unexpected reaction profile observed in the synthesis of propyl laurate when using Candida rugosa lipases immobilized in microemulsions based organogels	Biotechnology letters

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Complexity:	166
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	242.224580195
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	242.224580195
Rotatable Bond Count:	13
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	6.2