Methyl octylate

Names

[ CAS No. ]:
111-11-5

[ Name ]:
Methyl octylate

[Synonym ]:
caprylic chloride
OCLANOYL CHLORIDE
caprylic diester
Methyloctanoate
Methyl octanoate
methyl enanthate
N-CAPRYLY CHLORIDE
Octanoic acid, methyl ester
EINECS 203-835-0
Xin chloride
Caprylic acid methyl ester
MFCD00009551
CAPRYLYL CHLORIDE
Methyl n-Octanoate
n-Octanoyl chloride
Methyl octylate
OTCL
caprylic acid chloride
Methyl caprylate
octanoic acid methyl ester
Caprylyl chlorid
octanoicchloride
UNII-7MO740X6QL
capryloyl chloride
n-Caprylchloride
octanoic acid chloride
n-Octanoic Acid Methyl Ester

Biological Activity

[Description]:

Methyl octanoate, a volatile compound, is an aroma component persimmon wine[1].

[Related Catalog]:

Research Areas >> Others

Signaling Pathways >> Others >> Others

[References]

[1]. Lu Y, et, al. Changes in the physicochemical components, polyphenol profile, and flavor of persimmon wine during spontaneous and inoculated fermentation. Food Sci Nutr. 2020 Apr 14;8(6):2728-2738.

Chemical & Physical Properties

[ Density]:
0.9±0.1 g/cm3

[ Boiling Point ]:
191.1±3.0 °C at 760 mmHg

[ Melting Point ]:
-40°C

[ Molecular Formula ]:
C₉H₁₈O₂

[ Molecular Weight ]:
158.238

[ Flash Point ]:
72.8±0.0 °C

[ Exact Mass ]:
158.130676

[ PSA ]:
26.30000

[ LogP ]:
3.37

[ Vapour Pressure ]:
0.5±0.4 mmHg at 25°C

[ Index of Refraction ]:
1.418

[ Storage condition ]:
−20°C

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: RH0778000

CHEMICAL NAME :: Octanoic acid, methyl ester

CAS REGISTRY NUMBER :: 111-11-5

BEILSTEIN REFERENCE NO. :: 1752270

LAST UPDATED :: 199710

DATA ITEMS CITED :: 4

MOLECULAR FORMULA :: C9-H18-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LDLo - Lowest published lethal dose

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 48 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: RESJAS Journal of the Reticuloendothelial Society. (1964) (Res: Journal of the Reticuloendothelial Society, New York) V.1(1)-14(6), 1964-73. Volume(issue)/page/year: 3,250,1966 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X3714 No. of Facilities: 42 (estimated) No. of Industries: 1 No. of Occupations: 3 No. of Employees: 382 (estimated)

Safety Information

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

[ Hazard Codes ]:
Xi

[ Risk Phrases ]:
38

[ Safety Phrases ]:
S24/25

[ WGK Germany ]:
1

[ RTECS ]:
RH0778000

[ HS Code ]:
29159080

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

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

Optimization of supercritical fluid consecutive extractions of fatty acids and polyphenols from Vitis vinifera grape wastes.

J. Food Sci. 80(1) , E101-7, (2015)

In this study, supercritical fluid extraction has been successfully applied to a sequential fractionation of fatty acids and polyphenols from wine wastes (2 different vitis vinifera grapes). To this a...

Use of Commercial Dry Yeast Products Rich in Mannoproteins for White and Rosé Sparkling Wine Elaboration.

J. Agric. Food Chem. 63 , 5670-81, (2015)

In sparkling wines, mannoproteins released during yeast autolysis largely affect their final quality. This process is very slow and may take several months. The aim of this work was to study the effec...

Evaluation of injection methods for fast, high peak capacity separations with low thermal mass gas chromatography.

J. Chromatogr. A. 1392 , 82-90, (2015)

Low thermal mass gas chromatography (LTM-GC) was evaluated for rapid, high peak capacity separations with three injection methods: liquid, headspace solid phase micro-extraction (HS-SPME), and direct ...