methyl oleate
 
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IUPAC name :methyl (Z)-octadec-9-enoate
InChI :InChI=1/C19H36O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h10-11H,3-9,12-18H2,1-2H3/b11-10-
InChIKey :QYDYPVFESGNLHU-KHPPLWFEBA
SMILES :CCCCCCCC\C=C/CCCCCCCC(=O)OC
(EINECS) number :203-992-5
cas number :112-62-9
coe number :10836
fl. number :09.652
molar refractivity :91.90 ± 0.3 cm3
parachor :800.0 ± 4.0 cm3
index of refraction :1.454 ± 0.02
surface tension :30.9 ± 3.0 dyne/cm
density :0.873 ± 0.06 g/cm3
polarizability :36.43 ± 0.5 10-24cm3
xlogp : 6.80
molecular weight : 296.4879400
formula :C19 H36 O2
BioActivity Analysis :476201
 
 
export tariff code :2916.15.5000
fda reg :unspecified
 

organoleptics :

properties :
appearence :colorless to pale yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.87600 to 0.88200 @ 25.00 °C.
pounds per gallon - calc. : 7.289 to 7.339
refractive index :1.44800 to 1.45400 @ 20.00 °C.
boiling point : 351.00 to 353.00 °C. @ 760.00 mm Hg
logp : 7.45

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI-EU) :1.20 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :3900 (μg/person/day)
Threshold of concern :1800 (μg/person/day)
flash point ( Deg. F. ) :> 230.00  °F.  TCC  ( > 110.00 °C. )
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 2002a). According to the Industry the "normal" use is defined as the average of reported usages and "maximum use" is defined as the 95th percentile of reported usages (EFFA, 2002i).
Note : mg/kg = 0.001/1000 = 0.000001 = 1/1000000 = ppm.
 average usage mg/kgmaximum usage mg/kg
Dairy products, excluding products of category 02.0 (01.0) : 7.0000035.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0) : 5.0000025.00000
Edible ices, including sherbet and sorbet (03.0) : 10.0000050.00000
Processed fruit (04.1) : 7.0000035.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : --
Confectionery (05.0) : 10.0000050.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : 5.0000025.00000
Bakery wares (07.0) : 10.0000050.00000
Meat and meat products, including poultry and game (08.0) : 5.0000025.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : 5.0000025.00000
Eggs and egg products (10.0) : --
Sweeteners, including honey (11.0) : --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : 5.0000025.00000
Foodstuffs intended for particular nutritional uses (13.0) : 10.0000050.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : 5.0000025.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : 10.0000050.00000
Ready-to-eat savouries (15.0) : 20.00000100.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : 5.0000025.00000

safety links :
 
 
(EINECS) number :203-992-5
RTECS :RK0895000 for 112-62-9
chemidplus :000112629
EPA Substance Registry Services :112-62-9
NLM Chemical Carcinogenesis Research Information System :112-62-9
NLM Developmental and Reproductive Toxicity :112-62-9
NLM Env. Mutagen Info. Center :112-62-9
NLM GENetic TOXicology :112-62-9
dtp/nci :406282
EPI System :view

other :

references :
fl. number :09.652
pubchem :151332
NIST Chemistry WebBook :3795343926
synonyms :
 methyl (Z)-9-octadecenoate
 methyl oleate
(9Z)-9-octadecenoic acid methyl ester
(Z)-9-octadecenoic acid methyl ester
(Z)-9-octyl decenoic acid methyl ester
 oleic acid methyl ester

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) used in :
 emollients

natural occurrence in :
data pagecinnamon fruit oil india @ 0.0-0.3%
cocoa
data pageosmanthus absolute @ 0.16%
data pagethyme oil spain @ 0.89%
data pagewitch hazel leaf oil @ 0.13%



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