Introduction：Basic information about CAS 123-29-5|Ethyl nonanoate, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Ethyl nonanoate is a rich ester in spirits and its presence is commonly related to the pleasant fruity bouquet of alcoholic beverages. Ethyl nonanoate is an endogenous metabolite[1].
Related Catalog
Research Areas >>Others
References
[1]. Nascimento ES, et al. Quantitative ester analysis in cachaca and distilled spirits by gas chromatography-mass spectrometry (GC-MS). J Agric Food Chem. 2008 Jul 23;56(14):5488-93.
Chemical & Physical Properties
Density
0.9±0.1 g/cm3
Boiling Point
220.0±0.0 °C at 760 mmHg
Melting Point
-44°C
Molecular Formula
C11H22O2
Molecular Weight
186.291
Flash Point
94.4±0.0 °C
Exact Mass
186.161987
PSA
26.30000
LogP
4.43
Vapour Pressure
0.1±0.4 mmHg at 25°C
Index of Refraction
1.427
InChIKey
BYEVBITUADOIGY-UHFFFAOYSA-N
SMILES
CCCCCCCCC(=O)OCC
Toxicological Information
CHEMICAL IDENTIFICATION
RTECS NUMBER :
RA6845000
CHEMICAL NAME :
Nonanoic acid, ethyl ester
CAS REGISTRY NUMBER :
123-29-5
BEILSTEIN REFERENCE NO. :
1759169
LAST UPDATED :
199701
DATA ITEMS CITED :
4
MOLECULAR FORMULA :
C11-H22-O2
MOLECULAR WEIGHT :
186.33
WISWESSER LINE NOTATION :
8VO2
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
TYPE OF TEST :
Standard Draize test
ROUTE OF EXPOSURE :
Administration onto the skin
SPECIES OBSERVED :
Rodent - rabbit
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 16,747,1978 ** ACUTE TOXICITY DATA **
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
>43 gm/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity) Gastrointestinal - other changes
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 2,327,1964
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - guinea pig
DOSE/DURATION :
24 gm/kg
TOXIC EFFECTS :
Gastrointestinal - ulceration or bleeding from duodenum Gastrointestinal - gastritis
REFERENCE :
FCTXAV Food and Cosmetics Toxicology. (London, UK) V.1-19, 1963-81. For publisher information, see FCTOD7. Volume(issue)/page/year: 2,327,1964
2915900090 other saturated acyclic monocarboxylic acids and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives VAT:17.0% Tax rebate rate:9.0% Supervision conditions:AB(certificate of inspection for goods inward,certificate of inspection for goods outward) MFN tariff:5.5% General tariff:30.0%
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