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
cas number :112-62-9
(EINECS) number :203-992-5
beilstein number :1727037
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 (IUPAC)
formula :C19 H36 O2
BioActivity Analysis :476201
NMR Predictor :Predict
 
 
export tariff code :2916.15.5000
fda reg :unspecified
Suppliers :
Inoue :METHYL OLEATE
Penta :methyl oleate
Tokyo Chemical Industry :Methyl Oleate
>60.0%(GC)
organoleptics :
odor strength :low
odor description:
at 100.00 %.  		mild fatty
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.
melting point : -2.00 to -1.00 °C. @ 760.00 mm Hg
boiling point : 351.00 to 353.00 °C. @ 760.00 mm Hg
flash point :> 230.00  °F.  TCC  ( > 110.00 °C. )
logP (o/w) : 7.45
safety :
most important hazard(s) :None - None found.
  S 02 - Keep out of the reach of children.
S 24/25 - Avoid contact with skin and eyes.
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :cosmetic, flavor and fragrance agents
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)
 
 
 
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFSA, 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 (EFSA, 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 references :
European Food Safety Athority(efsa) :Flavor usage levels; Subacute, Subchronic, Chronic and Carcinogenicity Studies; Developmental / Reproductive Toxicity Studies; Genotoxicity Studies...
EPI System :view
NLM Hazardous Substances Data Bank :search
Chemical Carcinogenesis Research Information System :Search
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :1
 
 
 
 
methyl (Z)-octadec-9-enoate
(EINECS) number :203-992-5
RTECS :RK0895000 for cas# 112-62-9
chemidplus :000112629
EPA/NOAA CAMEO :hazardous materials
EPA Substance Registry Services :112-62-9
dtp/nci :406282
references :
 
methyl (Z)-octadec-9-enoate
fl. number :09.652
NIST Chemistry WebBook :3795343926
pubchem :151332
Cosmetics :
Cosmetic uses : emollients
perfuming agents
skin conditioning
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 methyl (Z)-9-octadecenoate
 methyl (Z)-octadec-9-enoate
(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
 water, 0.00184 mg/L @ 25C
insoluble in :
 water
potential uses :
 emollients
 skin conditioning
natural occurrence in :    note
data pagecinnamon fruit oil india @ 0.0-0.3% S
 cocoa - up to 0.15 mg/kg S
data pageosmanthus absolute @ 0.16% S
data pagethyme oil spain @ 0.89% S
data pagewitch hazel leaf oil @ 0.13% S

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