3-Nonanone - CAS 925-78-0

Catalog:	BB040560
Product Name:	3-Nonanone
CAS:	925-78-0
Synonyms:	nonan-3-one

Technical Data

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Computed Properties

IUPAC Name:	nonan-3-one
Description:	3-Nonanone (CAS# 925-78-0) is a useful research chemical.
Molecular Weight:	142.24
Molecular Formula:	C9H18O
Canonical SMILES:	CCCCCCC(=O)CC
InChI:	InChI=1S/C9H18O/c1-3-5-6-7-8-9(10)4-2/h3-8H2,1-2H3
InChI Key:	IYTXKIXETAELAV-UHFFFAOYSA-N
Boiling Point:	188-190 °C
Melting Point:	-8°C
Flash Point:	66°C
Density:	0.82 g/cm³
Appearance:	Clear colourless to light yellow liquid
MDL:	MFCD00009541
LogP:	2.93590
Refractive Index:	1.42

Publication Number	Title	Priority Date
CN-113061540-A	Fermentation process based on klaton yeast with amino acid added into substrate	20210324
CN-113150902-A	Fermentation process of hansenula polymorpha with added amino acids in substrate and based on grape juice	20210324
CN-113009044-A	Strawberry fruit aroma type dividing method based on characteristic aroma	20210323
CN-112949984-A	Multi-dimensional fusion identification method for fermentation degree of Meixiang fish based on smell visualization	20210201
KR-102242940-B1	Method for preparing a non-reducing cleaning composition containing vegetable extracts and a non-reducing cleaning composition prepared thereby	20210119

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GHS Hazard Statement:	H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P280, P305+P351+P338, and P337+P313
Signal Word:	Warning

Complexity:	86.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	142.135765193
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	142.135765193
Rotatable Bond Count:	6
Topological Polar Surface Area:	17.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8