Methyl nonanoate - CAS 1731-84-6

Name: Methyl nonanoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Technical Data

IUPAC Name:	methyl nonanoate
Description:	Methyl Nonanoate can be used to synthesize vanillyl nonanoate, a capsinoid. Capsinoids are found in chili peppers and exhibit anti‑obesity, anti‑hypertension, anti‑diabetes and anti‑inflammatory properties. Environmental contaminants; food contaminants.
Molecular Weight:	172.26
Molecular Formula:	C10H20O2
Canonical SMILES:	CCCCCCCCC(=O)OC
InChI:	InChI=1S/C10H20O2/c1-3-4-5-6-7-8-9-10(11)12-2/h3-9H2,1-2H3
InChI Key:	IJXHLVMUNBOGRR-UHFFFAOYSA-N
Boiling Point:	210.3 °C at 760 mmHg
Melting Point:	30°C
Flash Point:	84.4°C
Purity:	98%
Density:	0.874 g/cm³
Appearance:	Colorless liquid
Storage:	Tightly closed.
MDL:	MFCD00009569
LogP:	2.91000
Refractive Index:	n20/D 1.421(lit.)
Vapor Pressure:	0.21 [mmHg]

Publication Number	Title	Priority Date
US-2020237657-A1	Nasal moisturizer	20190128
EP-3711497-A1	Seamless capsule, and filter and smoking device including same	20190118
US-2020397038-A1	Seamless capsule, filter and smoking equipment containing same	20190118
WO-2020148924-A1	Seamless capsule, and filter and smoking device including same	20190118
WO-2020148954-A1	Seamless capsule, and filter and smoking device including same	20190118

PMID	Publication Date	Title	Journal
21885054	20111201	Solubilisation of different medium chain esters in zwitterionic surfactant solutions--effects on phase behaviour and structure	Journal of colloid and interface science
21364047	20110201	Key aroma components of a dry-cured sausage with high fat content (sobrassada)	Food science and technology international = Ciencia y tecnologia de los alimentos internacional
21818287	20110101	Comparative analysis of the volatile fraction of fruit juice from different Citrus species	PloS one
20202801	20100615	Production of a new glycolipid biosurfactant from marine Nocardiopsis lucentensis MSA04 in solid-state cultivation	Colloids and surfaces. B, Biointerfaces
20360970	20100329	Microbial community structure of leaf-cutter ant fungus gardens and refuse dumps	PloS one

Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	172.146329876
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	172.146329876
Rotatable Bond Count:	8
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.1