2-pentadecanone
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IUPAC name :pentadecan-2-one
InChI :InChI=1/C15H30O/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(2)16/h3-14H2,1-2H3
InChIKey :CJPNOLIZCWDHJK-UHFFFAOYAR
SMILES :CCCCCCCCCCCCCC(=O)C
cas number :2345-28-0
(EINECS) number :219-064-8
beilstein number :1764872
fema number :3724
coe number :11808
jecfa number :299
fl. number :07.137
molar refractivity :71.57 ± 0.3 cm3
parachor :633.9 ± 4.0 cm3
index of refraction :1.436 ± 0.02
surface tension :28.9 ± 3.0 dyne/cm
density :0.828 ± 0.06 g/cm3
polarizability :28.37 ± 0.5 10-24cm3
XlogP : 5.40
molecular weight : 226.3981000 (IUPAC)
formula :C15 H30 O
pherobase floral:view
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified
Suppliers :
Apple :2-Pentadecanone
Cargill - Alfrebro :METHYL TRIDECYL KETONE
natural, Kosher
Gainworld :2-pentadecanone
Inoue :METHYL TRIDECYL KETONE
Penta :2-pentadecanone
Sigma-Aldrich-SAFC :2-Pentadecanone
≥98%, Kosher
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organoleptics :
odor type :floral
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in dipropylene glycol.  		fresh jasmin celery
properties :
appearence :colorless white solid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 38.00 to 41.00 °C. @ 760.00 mm Hg
boiling point : 293.00 to 294.00 °C. @ 760.00 mm Hg
flash point :> 230.00  °F.  TCC  ( > 110.00 °C. )
logP (o/w) : 5.66
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 :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :18.00 (μg/capita/day)
 
recommendation for 2-pentadecanone fragrance usage levels up to :
  0.3000 % in the fragrance concentrate.
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
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :3
 
 
 
 
pentadecan-2-one
(EINECS) number :219-064-8
chemidplus :002345280
EPA Substance Registry Services :2345-28-0
references :
 
pentadecan-2-one
fl. number :07.137
jecfa number :299
NIST Chemistry WebBook :1844089962
pubchem :197573
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
 methyl tridecyl ketone
 pentadecan-2-one
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 amber dodecaneFR
alpha-amyl cinnamaldehydeFL/FR
alpha-amyl cinnamaldehyde diethyl acetalFR
alpha-amyl cinnamaldehyde dimethyl acetalFL/FR
alpha-amyl cinnamyl acetateFL/FR
alpha-amyl cinnamyl alcoholFL/FR
 amyl cyclopentanone propanoneFR
 amyl cyclopentenoneCS
 angelica root oilFL/FR
para-anisaldehyde dimethyl acetalFL/FR
 autumn carboxylateFR
 benzyl acetateFL/FR
 benzyl acetoneFL/FR
 benzyl butyrateFL/FR
 benzyl formateFL/FR
 benzyl hexanoateFL/FR
 benzyl isobutyrateFL/FR
 benzyl phenyl acetateFL/FR
 benzyl propionateFL/FR
 berry hexanoateFR
isobutyl angelateFL/FR
isobutyl benzyl carbinolFL/FR
alpha-butyl cinnamaldehydeFL/FR
3-butyl phthalideFL/FR
3-butylidene phthalideFL/FR
 celery ketoneFL/FR
 celery leaf oilFL/FR
 celery seed oilFL/FR
 celery seed oil CO2 extractFL/FR
 celery seed oleoresinFL
 celery undeceneFR
 chrysanthemum oxideFL/FR
 creamy lactoneFL/FR
para-cresyl caprylateFL/FR
 cyclopentyl mercaptanFL
 decen-1-yl cyclopentanoneFL/FR
3-decen-2-oneFL/FR
 dihydroisojasmonateFR
 dihydrojasmone lactoneFL/FR
 dimethyl benzyl carbinyl acetateFL/FR
 dimethyl benzyl carbinyl formateFL/FR
 dimethyl benzyl carbinyl isobutyrateFR
 dimethyl benzyl carbinyl propionateFR
 fenugreek absoluteFL/FR
 freesia acetateFR
 fruity cyclopentanoneFR
 gardenia oxideFR
 green methanoindeneFR
 hawthorn ethanolFR
2-heptyl cyclopentanoneFR
 herbal carbonateFR
 herbal pyranFR
 hexahydrofarnesyl acetoneFL/FR
(Z)-3-hexen-1-yl anthranilateFL/FR
 hexen-1-yl cyclopentanoneFR
2-hexen-1-yl cyclopentanyl acetateFR
alpha-hexyl cinnamaldehydeFL/FR
2-hexylidene cyclopentanoneFL/FR
 honeysuckle absoluteFR
 indoletalFR
 jasmin absoluteFL/FR
 jasmin absolute chassisFL/FR
 jasmin absolute chinaFL/FR
 jasmin absolute concrete indiaFL/FR
 jasmin absolute concrete italyFL/FR
 jasmin absolute pommadeFL/FR
 jasmin acetateFL/FR
 jasmin acetoacetateFL/FR
 jasmin cyclopentanolFR
 jasmin cyclopentanoneFR
 jasmin lactoneFL/FR
 jasmin nonaneFR
 jasmin notes 
 jasmin oil italyFL/FR
 jasmin pyranolFR
 jasmin pyranoneFL/FR
 jasmin sambac absolute egyptFL/FR
(Z)-jasmoneFL/FR
isojasmoneFL/FR
para-jasmoneFR
 lovage herb oilFL
 lovage oleoresinFL
 lovage root absoluteFL
 lovage root oilFL/FR
 methyl dihydrojasmonateFL/FR
 methyl epi-jasmonateFL/FR
 methyl jasmonateFL/FR
 mimosa heptanalFR
 narcissus absoluteFR
3-nonanoneFL/FR
 octen-1-yl cyclopentanoneFL/FR
 octyl butyrateFL/FR
 peach nitrileFR
 pear valerateFR
 penten-1-yl cyclopentanoneFR
2-pentyl cyclopentanoneFR
1-phenyl propyl butyrateFL/FR
(Z,E)-phytolFL/FR
 prenyl acetateFL/FR
 privet dioxaneFR
3-propylidene phthalideFL/FR
 spicy acetoacetateFL/FR
 styralyl butyrateFL/FR
 styralyl isobutyrateFL/FR
 tetrahydrojasmoneFR
 tricyclodecenyl propionateFR
 verbenoneFL/FR
 wallflower absoluteFR
 waxy lactoneFL/FR
 whiskey lactoneFL/FR
potential uses :
 celery
 herbal
 jasmin
 moss
 oriental
natural occurrence in :    note
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