isobutyl myristate
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IUPAC name :2-methylpropyl tetradecanoate
InChI :InChI=1/C18H36O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-18(19)20-16-17(2)3/h17H,4-16H2,1-3H3
InChIKey :SKVCWXRLKHBEKW-UHFFFAOYAZ
SMILES :CCCCCCCCCCCCCC(=O)OCC(C)C
cas number :25263-97-2
(EINECS) number :246-765-6
coe number :10712
fl. number :09.594
molar refractivity :87.17 ± 0.3 cm3
parachor :770.3 ± 4.0 cm3
index of refraction :1.441 ± 0.02
surface tension :29.8 ± 3.0 dyne/cm
density :0.863 ± 0.06 g/cm3
polarizability :34.55 ± 0.5 10-24cm3
XlogP : 6.60
XlogP3-AA : 7.70
molecular weight : 284.4772400 (IUPAC)
formula :C18 H36 O2
BioActivity Analysis :98613
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Inoue :isoBUTYL MYRISTATE
Nanjing :isobutyl myristate
TCI AMERICA :isobutyl myristate
>97.0%(GC)

organoleptics :

properties :
appearence :white solid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 45.00 to 48.00 °C. @ 760.00 mm Hg
boiling point : 328.00 to 330.00 °C. @ 760.00 mm Hg
flash point : 307.00  °F.  TCC  ( 152.78 °C. )
logP (o/w) : 7.96

safety :
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) :1.80 (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 (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
 
 
 
 2-methylpropyl tetradecanoate
(EINECS) number :246-765-6
chemidplus :025263972
EPA Substance Registry Services :25263-97-2
dtp/nci :44525

references :
 2-methylpropyl tetradecanoate
fl. number :09.594
NIST Chemistry WebBook :25263972
pubchem :668098

Cosmetics :
Cosmetic uses : emollients
skin conditioning

other :
CosIng :cosmetic data
synonyms :
isobutyl tetradecanoate
2-methyl propyl tetradecanoate
2-methylpropyl tetradecanoate
 myristic acid isobutyl ester
 tetradecanoic acid 2-methyl propyl ester
 tetradecanoic acid 2-methylpropyl ester

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) used in :
 emollients
 skin conditioning

natural occurrence in :
not found in nature



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