Ethyl nonanoate

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Names

[ CAS No. ]:
123-29-5

[ Name ]:
Ethyl nonanoate

[Synonym ]:
ethyl perlargonate
Nonansaeure-aethylester
MFCD00009570
Nonanoic acid ethyl ester
Nonylic Acid Ethyl Ester
Ethyl Pelargonate
Wine ether
Pelargonic Acid Ethyl Ester
EINECS 204-615-7
Nonanoic acid, ethyl ester
Ethyl nonanoate
FEMA No. 2447
ethyl octane-1-carboxylate
Ethyl nonylate

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

MSDS

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

Safety Information

[ Symbol ]:

GHS07

[ Signal Word ]:
Warning

[ Hazard Statements ]:
H315-H319-H335

[ Precautionary Statements ]:
P261-P305 + P351 + P338

[ Personal Protective Equipment ]:
Eyeshields;full-face respirator (US);Gloves;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter

[ Hazard Codes ]:
Xi:Irritant;

[ Risk Phrases ]:
R36/37/38

[ Safety Phrases ]:
S26-S36

[ RIDADR ]:
NONH for all modes of transport

[ WGK Germany ]:
2

[ RTECS ]:
RA6845000

[ Packaging Group ]:
II

[ Hazard Class ]:
6.1

[ HS Code ]:
2916399090

Synthetic Route

Precursor & DownStream

Precursor

  • Ethyl 6-bromohexanoate
  • di-n-propylzinc
  • 1-Iodooctane
  • Ethanol
  • carbon monoxide
  • Nonanal
  • Ethyl 4-bromobutanoate
  • Dipentylzinc
  • Trifluoroacetic acid octyl ester

DownStream

  • 9-Heptadecanone
  • 5-Nonanone
  • 5-tridecanone
  • Ethanol
  • Nonanoic acid
  • Nonanenitrile
  • Nonane
  • dec-1-yne
  • Nonyl acetate
  • nonanehydrazide

Customs

[ HS Code ]: 2915900090

[ Summary ]:
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%

Articles

Quantitative ester analysis in cachaca and distilled spirits by gas chromatography-mass spectrometry (GC-MS).

J. Agric. Food Chem. 56(14) , 5488-93, (2008)

An analytical procedure for the separation and quantification of ethyl acetate, ethyl butyrate, ethyl hexanoate, ethyl lactate, ethyl octanoate, ethyl nonanoate, ethyl decanoate, isoamyl octanoate, an...

A robust method for quantification of volatile compounds within and between vintages using headspace-solid-phase micro-extraction coupled with GC-MS--application on Semillon wines.

Anal. Chim. Acta 660(1-2) , 149-57, (2010)

A headspace-solid-phase micro-extraction-gas chromatography-mass spectrometry (HS-SPME-GC-MS) method has been developed to quantify a range of volatile compounds in Hunter Valley Semillon wines. The f...


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Related Compounds

  • 2-(dimethylamino)ethyl nonanoate
  • 2-(3-chlorobutoxy)ethyl nonanoate
  • 2-(2-hydroxyethoxy)ethyl nonanoate
  • 2-(2-prop-2-enoyloxyethoxy)ethyl nonanoate
  • 2-[2-(2-hydroxyethoxy)ethoxy]ethyl nonanoate
  • 2-(2-nonanoyloxypropanoylamino)ethyl nonanoate
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 1-[1-(Aminomethyl)cyclobutyl]prop-2-yn-1-one
  • N-(3-(chloromethyl)pyridin-2-yl)-N-methylmethanesulfonamide
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 2-(Difluoromethyl)-4-iodonitrobenzene
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • 1-(1H-indol-7-yl)cyclopropan-1-ol
  • (4-methoxyphenyl)(1-(3,4,5-trimethoxyphenyl)-3,4-dihydropyrrolo[1,2-a]pyrazin-2(1H)-yl)methanone