methyl palmitate
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IUPAC name :methyl hexadecanoate
InChI :InChI=1/C17H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18)19-2/h3-16H2,1-2H3
InChIKey :FLIACVVOZYBSBS-UHFFFAOYAK
SMILES :CCCCCCCCCCCCCCCC(=O)OC
cas number :112-39-0
(EINECS) number :203-966-3
beilstein number :1780973
coe number :581
fl. number :09.180
molar refractivity :82.58 ± 0.3 cm3
parachor :733.2 ± 4.0 cm3
index of refraction :1.441 ± 0.02
surface tension :30.2 ± 3.0 dyne/cm
density :0.865 ± 0.06 g/cm3
polarizability :32.73 ± 0.5 10-24cm3
XlogP : 6.40
molecular weight : 270.4506600 (IUPAC)
formula :C17 H34 O2
BioActivity Analysis :70570
NMR Predictor :Predict
 
 
export tariff code :2915.70.0000
fda reg :unspecified
Suppliers :
Inoue :METHYL PALMITATE
Penta :methyl palmitate
Sigma-Aldrich-SAFC :Methyl palmitate
≥97%
organoleptics :
properties :
appearence :white solid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 32.00 to 35.00 °C. @ 760.00 mm Hg
boiling point : 163.00 to 164.00 °C. @ 4.00 mm Hg
boiling point : 185.00 °C. @ 10.00 mm Hg
flash point :> 230.00  °F.  TCC  ( > 110.00 °C. )
logP (o/w) : 7.38
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 :
Maximised Survey-derived Daily Intakes (MSDI-EU) :2.80 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :3900 (μg/person/day)
Threshold of concern :1800 (μg/person/day)
 
recommendation for methyl palmitate usage levels up to :
  8.0000 % in the fragrance concentrate.
 
 
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) : 2.0000010.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : 2.0000010.00000
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
Cancer Citations :Search
Toxicology Citations :Search
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :1
 
 
 
 methyl hexadecanoate
(EINECS) number :203-966-3
chemidplus :000112390
EPA Substance Registry Services :112-39-0
dtp/nci :4197
references :
 methyl hexadecanoate
fl. number :09.180
NIST Chemistry WebBook :1524579440
pubchem :151311
Cosmetics :
Cosmetic uses : emollients
perfuming agents
skin conditioning
other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
Household Products : Search
synonyms :
 hexadecanoic acid methyl ester
 methyl hexadecanoate
 palmitic acid methyl ester
soluble in :
 alcohol
 water, 0.01 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) used in :
 emollients
 fruit
 skin conditioning
natural occurrence in :
data pageboronia absolute @ 0.02%
data pagechampaca absolute @ 3.00%
data pagechampaca concrete @ 0.20%
data pagecinnamon fruit oil india @ 0.0-0.3%
elderberry fruit - 5.3 mg/kg
data pagefennel absolute sweet @ 0.10%
data pagegenet absolute @ 0.40%
data pagehelichrysum arenarium (l.) moench oil hungary @ 28.50%
data pageherniaria incana lam. oil greece @ 0.30%
data pagejambu flower oil brazil @ 0.10%
data pagejasmin absolute china @ 5.51%
data pagejasmin absolute concrete egypt @ 1.56%
data pagejasmin sambac absolute egypt @ 0.95%
data pagelavender oil spike spain @ 0.017%
mushrooms - up to 20 mg/kg
data pageosmanthus absolute @ 0.07%
data pagesage oil cuba @ 0.26%
data pagestar fruit oil cuba @ trace%
tea green tea - up to 1.1 mg/kg
data pagethevetia peruviana (pers.) k. schum. flower oil brazil @ 0.20%
data pagethyme oil spain @ 1.85%
data pagevalerian root oil @ 0.1-0.9%
data pagewitch hazel leaf oil @ 0.33%



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