2-dodecanone
 
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IUPAC name :dodecan-2-one
InChI :InChI=1/C12H24O/c1-3-4-5-6-7-8-9-10-11-12(2)13/h3-11H2,1-2H3
InChIKey :LSKONYYRONEBKA-UHFFFAOYAA
SMILES :CCCCCCCCCCC(=O)C
(EINECS) number :228-222-5
cas number :6175-49-1
beilstein number :1703135
coe number :11069
fl. number :07.158
molar refractivity :57.67 ± 0.3 cm3
parachor :514.6 ± 4.0 cm3
index of refraction :1.428 ± 0.02
surface tension :27.9 ± 3.0 dyne/cm
density :0.823 ± 0.06 g/cm3
polarizability :22.86 ± 0.5 10-24cm3
xlogp : 5.00
molecular weight : 184.3183600
formula :C12 H24 O
BioActivity Analysis :48415428
 
 
export tariff code :2914.19.0000
fda reg :unspecified
 

Suppliers :
Bedoukian Research :METHYL DECYL KETONE
 ≥97.0%, Kosher
 
 

organoleptics :
odor type :citrus
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
fruity citrus floral orange

properties :
appearence :white liquid to crystals
assay : 97.00 - 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.82500 - 0.83500 @ 25.00 °C.
pounds per gallon - calc. : 6.865 to 6.948
refractive index :1.43100 - 1.43700 @ 20.00 °C.
melting point : 21.00 - 22.00 °C. @ 760.00 mm Hg
boiling point : 245.00 - 246.00 °C. @ 760.00 mm Hg
acid value : 1.00  max.  KOH/g
logp : 4.18

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
Maximised Survey-derived Daily Intakes (MSDI) :0.73 (μg/capita/day)
modified Theoretical Added Maximum Daily Intake (mTAMDI) :1563 (μg/person/day)
  
flash point ( Deg. F. ) : 230.00  °F.  TCC  ( 110.00 °C. )
  
recommendation for 2-dodecanone usage levels up to :
  4.0000 % in the fragrance concentrate.
  
  
Food categories according to Commission Regulation EC No. 1565/2000 (EC, 2000) in FGE.06 (EFFA, 2002a)
 Normal Use Level (mg/kg)Maximum Use Level (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 links :
(EINECS) number :228-222-5
chemidplus :006175491
epa-srs :6175-49-1
  

other :
 

references :
fl. number :07.158
pubchem :165205
NIST Chemistry WebBook :2736319793
  
synonyms :
 dodecan-2-one
2-dodecanone
 methyl decyl ketone
soluble in :
 alcohol
 water, 14 mg/L @ 25C
insoluble in :
 water
(odor and/or flavor) blends with :
 acetal 318
1-acetyl cyclohexyl acetate
isoamyl 2-methyl butyrate
isoamyl 3-(2-furan) propionate
 amyl angelate
isoamyl angelate
alpha-amyl cinnamaldehyde
para-anisyl formate
 benzaldehyde / methyl anthranilate schiff's base
 benzyl acetate
 benzyl acetoacetate
 benzyl cinnamate
 benzyl formate
 bergamot oil bergaptene free
 berry hexanoate
beta-bisabolol
isobutyl anthranilate
isobutyl furyl propionate
2-butyl thiophene
 butyl undecylenate
 chamomile isobutyrate
 chamomile propionate
 chamomile valerate
 cinnamyl formate
 citronellyl acetate
 citronellyl butyrate
 citronellyl hexanoate
 citronellyl isobutyrate
 citronellyl propionate
(E)-citronellyl tiglate
 citrus carbaldehyde / methyl anthranilate schiff's base
 clary propyl acetate
beta-cubebene
(E)-beta-damascone
(Z)-beta-damascone
beta-damascone
2-decalinyl acetate
 decanal
3-decanone
 dehydronootkatone
2,4-difurfuryl furan
 dihydrojasmone
 dihydronootkatone
 dimethyl benzyl carbinyl acetate
S-(2,5-dimethyl-3-furyl) ethane thioate
(E+Z)-4,8-dimethyl-3,7-nonadien-2-one
(Z)-4-dodecen-1-al
 ethyl 2-furoate
 ethyl isobutyrate
 ethyl levulinate
4-ethyl octanoic acid
2-ethyl-1-hexanol
 geraniol
 green carboxylate
 heptanal cyclic ethylene acetal
2-heptanol
 heptyl isobutyrate
(E,E)-2,4-hexadien-1-al
(Z)-3-hexen-1-yl isovalerate
 hexoxyacetaldehyde dimethyl acetal
2-hexyl-4-acetoxytetrahydrofuran
pseudoionone
 mandarin oil uruguay
 menthadienyl formate
3-mercaptohexyl acetate
 methoxymelonal
 methyl (Z)-3-hexenoate
 methyl 4-phenyl butyrate
 methyl acetoacetate
 methyl alpha-ionone
 methyl benzyl acetate (mixed ortho-,meta-,para-)
 methyl cyclogeranate
 methyl decanoate
alpha-isomethyl ionone (90% min.)
 methyl ionyl acetate
 methyl isobutyrate
(E)-7-methyl-3-octen-2-one
 myrtenyl acetate
 neryl isovalerate
3-nonanon-1-yl acetate
 orris root concrete
 petitgrain lemon oil
 phenethyl isobutyrate
 phenethyl isovalerate
1-phenyl propyl butyrate
2-phenyl propyl isobutyrate
4-phenyl-3-buten-2-ol
2-phenyl-4-pentenal
isopropyl benzoate
isopropyl isobutyrate
 rhubarb pyran
 rose undecene
alpha-terpineol
 terpinyl formate
 terpinyl valerate
(Z)-8-tetradecen-1-al
 tetrahydroionyl acetate
 tetrahydrolinalyl acetate
4-(para-tolyl)-2-butanone
2,5,9-trimethyl-4,9-decadien-1-al
(±)-2,4,8-trimethyl-7-nonen-2-ol
 tropical ionone
 undecanal dimethyl acetal
 undecanol
(E)-2-undecen-1-al
10-undecen-1-ol
(odor and/or flavor) used in :
 citrus
 floral
 fruit
natural occurrence in :
data pagecroton flavens l. (welensali) leaf oil curacao @ trace%
data pageglycosmis pentaphylla (cor.) bark oil india @ 0.20%
data pagelaurel leaf oil turkey @ trace%
data pagepetitgrain sweet oil @ 0.31%
data pagerue flower oil colombia @ 0.68%
data pagerue oil china @ 0.54%
data pagerue oil cuba @ 2.43%



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