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
formula :C15 H30 O
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

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 :
Maximised Survey-derived Daily Intakes (MSDI-EU) :18.00 (μg/capita/day)
 
recommendation for 2-pentadecanone 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
synonyms :
 methyl tridecyl ketone
 pentadecan-2-one

soluble in :
 alcohol

insoluble in :
 water

(odor and/or flavor) blends with :
 amber dodecane
alpha-amyl cinnamaldehyde
alpha-amyl cinnamaldehyde diethyl acetal
alpha-amyl cinnamaldehyde dimethyl acetal
alpha-amyl cinnamyl acetate
alpha-amyl cinnamyl alcohol
 amyl cyclopentanone propanone
 amyl cyclopentenone
 angelica root oil
para-anisaldehyde dimethyl acetal
 autumn carboxylate
 benzyl acetate
 benzyl acetone
 benzyl butyrate
 benzyl formate
 benzyl hexanoate
 benzyl isobutyrate
 benzyl phenyl acetate
 benzyl propionate
 berry hexanoate
isobutyl angelate
isobutyl benzyl carbinol
alpha-butyl cinnamaldehyde
3-butyl phthalide
3-butylidene phthalide
 celery ketone
 celery leaf oil
 celery seed oil
 celery seed oil CO2 extract
 celery seed oleoresin
 celery undecene
 chrysanthemum oxide
 creamy lactone
para-cresyl caprylate
 cyclopentyl mercaptan
 decen-1-yl cyclopentanone
3-decen-2-one
 dihydroisojasmonate
 dihydrojasmone lactone
 dimethyl benzyl carbinyl acetate
 dimethyl benzyl carbinyl formate
 dimethyl benzyl carbinyl isobutyrate
 dimethyl benzyl carbinyl propionate
 fenugreek absolute
 freesia acetate
 fruity cyclopentanone
 gardenia oxide
 green methanoindene
 hawthorn ethanol
2-heptyl cyclopentanone
 herbal carbonate
 herbal pyran
 hexahydrofarnesyl acetone
(Z)-3-hexen-1-yl anthranilate
 hexen-1-yl cyclopentanone
2-hexen-1-yl cyclopentanyl acetate
alpha-hexyl cinnamaldehyde
2-hexylidene cyclopentanone
 honeysuckle absolute
 indoletal
 jasmin absolute
 jasmin absolute chassis
 jasmin absolute china
 jasmin absolute concrete india
 jasmin absolute concrete italy
 jasmin absolute pommade
 jasmin acetate
 jasmin acetoacetate
 jasmin cyclopentanol
 jasmin cyclopentanone
 jasmin lactone
 jasmin nonane
 jasmin notes
 jasmin oil italy
 jasmin pyranol
 jasmin pyranone
 jasmin sambac absolute egypt
(Z)-jasmone
isojasmone
para-jasmone
 lovage herb oil
 lovage oleoresin
 lovage root absolute
 lovage root oil
 methyl dihydrojasmonate
 methyl epi-jasmonate
 methyl jasmonate
 mimosa heptanal
 narcissus absolute
3-nonanone
 octen-1-yl cyclopentanone
 octyl butyrate
 peach nitrile
 pear valerate
 penten-1-yl cyclopentanone
2-pentyl cyclopentanone
1-phenyl propyl butyrate
(Z,E)-phytol
 prenyl acetate
 privet dioxane
3-propylidene phthalide
 spicy acetoacetate
 styralyl butyrate
 styralyl isobutyrate
 tetrahydrojasmone
 tricyclodecenyl propionate
 verbenone
 wallflower absolute
 waxy lactone
 whiskey lactone

(odor and/or flavor) used in :
 celery
 herbal
 jasmin
 moss
 oriental

natural occurrence in :
data pagechampaca concrete @ 0.01%
data pagecochlospermum tinctorium oil @ 0.60%
data pagedialium guineense wild.fruit oil france @ 0.30%
data pageglycosmis pentaphylla (cor.) bark oil india @ 0.20%
data pagewitch hazel leaf oil @ 0.04%



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