Ethyl octanoate - CAS 106-32-1

Name: Ethyl octanoate
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB001848
Product Name:	Ethyl octanoate
CAS:	106-32-1
Synonyms:	Ethyl n-octanoate; Caprylic acid ethyl ester; octanoic acid ethyl ester

Technical Data

IUPAC Name:	ethyl octanoate
Description:	Ethyl octanoate is a natural product found in Vitis rotundifolia, Chaenomeles speciosa, and other organisms.
Molecular Weight:	172.26
Molecular Formula:	C10H20O2
Canonical SMILES:	CCCCCCCC(=O)OCC
InChI:	InChI=1S/C10H20O2/c1-3-5-6-7-8-9-10(11)12-4-2/h3-9H2,1-2H3
InChI Key:	YYZUSRORWSJGET-UHFFFAOYSA-N
Boiling Point:	206-208 °C
Melting Point:	-47 °C
Flash Point:	75°C
Purity:	99 %
Density:	0.868 g/cm³
Appearance:	Clear colourless liquid
Storage:	Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a cool, dry place. Keep container closed when not in use. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substance
MDL:	MFCD00009552
LogP:	2.91000
Refractive Index:	1.415-1.42
Stability:	Stable at room temperature in closed containers under normal storage and handling conditions.

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PMID	Publication Date	Title	Journal
23122509	20130201	High-cell-density fermentation of Saccharomyces cerevisiae for the optimisation of mead production	Food microbiology
22980827	20121215	Volatile composition of partially fermented wines elaborated from sun dried Pedro Ximénez grapes	Food chemistry
22692849	20120901	Characterisation of the volatile profile of coconut water from five varieties using an optimised HS-SPME-GC analysis	Journal of the science of food and agriculture
22741541	20120725	Are the wild and laboratory insect populations different in semiochemical emission? The case of the medfly sex pheromone	Journal of agricultural and food chemistry
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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:	3.5