2-tetradecanone
 
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IUPAC name :tetradecan-2-one
InChI :InChI=1/C14H28O/c1-3-4-5-6-7-8-9-10-11-12-13-14(2)15/h3-13H2,1-2H3
InChIKey :POQLVOYRGNFGRM-UHFFFAOYAC
SMILES :CCCCCCCCCCCCC(=O)C
(EINECS) number :219-063-2
cas number :2345-27-9
coe number :11192
fl. number :07.199
molar refractivity :66.93 ± 0.3 cm3
parachor :594.2 ± 4.0 cm3
index of refraction :1.434 ± 0.02
surface tension :28.6 ± 3.0 dyne/cm
density :0.827 ± 0.06 g/cm3
polarizability :26.53 ± 0.5 10-24cm3
xlogp : 6.10
molecular weight : 212.3715200
formula :C14 H28 O
 
 
export tariff code :unspecified
fda reg :unspecified
 

organoleptics :

properties :
appearence :colorless crystalline solid
assay : 96.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 33.00 to 34.00 °C. @ 760.00 mm Hg
boiling point : 279.00 to 280.00 °C. @ 760.00 mm Hg
logp : 5.17

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI-EU) :0.073 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :1600 (μg/person/day)
Threshold of concern :540 (μg/person/day)
flash point ( Deg. F. ) : 184.00  °F.  TCC  ( 84.44 °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) : 3.0000015.00000
Fats and oils, and fat emulsions (type water-in-oil) (02.0) : 2.0000010.00000
Edible ices, including sherbet and sorbet (03.0) : 3.0000015.00000
Processed fruit (04.1) : 2.0000010.00000
Processed vegetables (incl. mushrooms & fungi, roots & tubers, pulses and legumes), and nuts & seeds (04.2) : --
Confectionery (05.0) : 4.0000020.00000
Cereals and cereal products, incl. flours & starches from roots & tubers, pulses & legumes, excluding bakery (06.0) : 2.0000010.00000
Bakery wares (07.0) : 5.0000025.00000
Meat and meat products, including poultry and game (08.0) : 1.000005.00000
Fish and fish products, including molluscs, crustaceans and echinoderms (MCE) (09.0) : 1.000005.00000
Eggs and egg products (10.0) : --
Sweeteners, including honey (11.0) : --
Salts, spices, soups, sauces, salads, protein products, etc. (12.0) : 2.0000010.00000
Foodstuffs intended for particular nutritional uses (13.0) : 3.0000015.00000
Non-alcoholic ("soft") beverages, excl. dairy products (14.1) : 2.0000010.00000
Alcoholic beverages, incl. alcohol-free and low-alcoholic counterparts (14.2) : --
Ready-to-eat savouries (15.0) : 5.0000025.00000
Composite foods (e.g. casseroles, meat pies, mincemeat) - foods that could not be placed in categories 01.0 - 15.0 (16.0) : 2.0000010.00000

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
 
 
 tetradecan-2-one
(EINECS) number :219-063-2
chemidplus :002345279
EPA Substance Registry Services :2345-27-9
NLM Chemical Carcinogenesis Research Information System :2345-27-9
NLM Developmental and Reproductive Toxicity :2345-27-9
NLM Env. Mutagen Info. Center :2345-27-9
NLM GENetic TOXicology :2345-27-9

references :
 tetradecan-2-one
fl. number :07.199
pubchem :217582
NIST Chemistry WebBook :2830736770

other :
synonyms :
 tetradecan-2-one
2-tetradecanone

soluble in :
 alcohol

insoluble in :
 water

natural occurrence in :
hop oil
data pagerue flower oil colombia @ 0.07%
data pagerue oil cuba @ 0.20%



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