Methyl heptadecanoate - CAS 1731-92-6

Catalog:	BB012893
Product Name:	Methyl heptadecanoate
CAS:	1731-92-6
Synonyms:	methyl heptadecanoate

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Computed Properties

IUPAC Name:	methyl heptadecanoate
Description:	Methyl heptadecanoate (CAS# 1731-92-6) is used in biological studies for the formation of beef flavor precursors and its correlation with chemical parameters during the controlled thermal oxidation of tallow.
Molecular Weight:	284.48
Molecular Formula:	C18H36O2
Canonical SMILES:	CCCCCCCCCCCCCCCCC(=O)OC
InChI:	InChI=1S/C18H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20-2/h3-17H2,1-2H3
InChI Key:	HUEBIMLTDXKIPR-UHFFFAOYSA-N
Boiling Point:	337.1 °C at 760 mmHg
Density:	0.864 g/cm³
Appearance:	White crystal
MDL:	MFCD00009001
LogP:	6.03080

Publication Number	Title	Priority Date
AU-2021103279-A4	A process for isolation and yield increase of flavonoid compound/quercetin from plant houttuynia cordata thunb by uv-b exposure	20210416
CN-113017053-A	Sheep bone soup rich in oleic acid and volatile flavor substances and preparation method thereof	20210416
CN-113073055-A	Transgenic microalgae and application thereof in regulating and controlling synthesis of metabolites	20210322
CN-112931794-A	Fast fermented sausage and preparation method thereof	20210308
CN-112138016-A	Traditional Chinese medicine composition for preventing damp-heat diarrhea	20201102

PMID	Publication Date	Title	Journal
22389678	20120101	Chemical composition and antioxidant activities of Broussonetia papyrifera fruits	PloS one
22593688	20120101	Optimization of sunflower oil transesterification process using sodium methoxide	TheScientificWorldJournal
22145867	20111207	Direct production of biodiesel from high-acid value Jatropha oil with solid acid catalyst derived from lignin	Biotechnology for biofuels
21366905	20110302	Two-step synthesis of fatty acid ethyl ester from soybean oil catalyzed by Yarrowia lipolytica lipase	Biotechnology for biofuels
21421810	20110301	Sphingolipids in the root play an important role in regulating the leaf ionome in Arabidopsis thaliana	The Plant cell

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Complexity:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	284.271530387
Formal Charge:	0
Heavy Atom Count:	20
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	284.271530387
Rotatable Bond Count:	16
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	8.5