2-tridecanone
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Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :tridecan-2-one
InChI :InChI=1/C13H26O/c1-3-4-5-6-7-8-9-10-11-12-13(2)14/h3-12H2,1-2H3
InChIKey :CYIFVRUOHKNECG-UHFFFAOYAU
SMILES :CCCCCCCCCCCC(=O)C
cas number :593-08-8
(EINECS) number :209-784-0
beilstein number :1757402
fema number :3388
coe number :11194
jecfa number :298
fl. number :07.103
molar refractivity :62.30 ± 0.3 cm3
parachor :554.4 ± 4.0 cm3
index of refraction :1.431 ± 0.02
surface tension :28.3 ± 3.0 dyne/cm
density :0.825 ± 0.06 g/cm3
polarizability :24.69 ± 0.5 10-24cm3
XlogP : 5.60
molecular weight : 198.3449400 (IUPAC)
formula :C13 H26 O
BioActivity Analysis :78849
NMR Predictor :Predict
 
 
export tariff code :2914.19.0000
fda reg :unspecified

Suppliers :
Advanced Biotech :2-tridecanone
98% min. natural
Odor:  Waxy
Apple :2-Tridecanone
Bedoukian Research :METHYL UNDECYL KETONE
≥99.0%, Kosher
Odor:  A fatty, herbaceous, earthy aroma
Cargill - Alfrebro :METHYL UNDECYL KETONE
natural, Kosher
Gainworld :2-tridecanone
Inoue :METHYL UNDECYL KETONE
Penta :2-tridecanone
Sigma-Aldrich-SAFC :2-Tridecanone
≥96%, Kosher
Odor:  spicy; herbaceous
Vigon :Methyl Undecyl Ketone 2-Tridecanone
Odor:  WARM-OILY, WAXY

organoleptics :
odor type :waxy
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description :
at 10.00 % in dipropylene glycol.  
fatty waxy dairy milky coconut nutty herbal earthy

properties :
appearence :white crystalline solid
assay : 98.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 29.00 to 31.00 °C. @ 760.00 mm Hg
boiling point : 134.00 °C. @ 10.00 mm Hg
boiling point : 195.00 °C. @ 110.00 mm Hg
vapor pressure :0.00300 mm/Hg @ 20.00 °C.
flash point : 225.00  °F.  TCC  ( 107.22 °C. )
logP (o/w) : 4.68

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) :62.00 (μg/capita/day)
 
recommendation for 2-tridecanone usage levels up to :
  0.5000 % in the fragrance concentrate.
recommendation for 2-tridecanone usage levels up to :
  10.0000 ppm in the flavor.

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
Env. Mutagen Info. Center :Search
National Toxicology Program :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :2
 
 
 
 tridecan-2-one
(EINECS) number :209-784-0
chemidplus :000593088
EPA Substance Registry Services :593-08-8
dtp/nci :14763

references :
 tridecan-2-one
fl. number :07.103
jecfa number :298
NIST Chemistry WebBook :3255982289
pubchem :154927

Cosmetics :
Cosmetic uses : perfuming agents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 hendecyl methyl ketone
 methyl undecyl ketone
 tridecan-2-one

soluble in :
 alcohol
 dipropylene glycol
 water, 4.53 mg/L @ 25C

insoluble in :
 water

(odor and/or flavor) blends with :
 acetoin
 acetyl nonyryl
 allyl cyclohexyl propionate
 allyl octanoate
alpha-amyl cinnamaldehyde / methyl anthranilate schiff's base
isoamyl laurate
6-amyl-alpha-pyrone
 benzyl laurate
 butyl butyryl lactate
 butyl laevo-lactate
isobutyl methyl ketone
2-butyl thiophene
 butyric acid
 coconut decanone
 dairy lactone
2,4-decadien-1-ol
delta-decalactone
 decanal / methyl anthranilate schiff's base
(E)-2-decen-1-al
(E)-2-decen-1-ol
(Z)-5-decen-1-ol
(E)-2-decen-1-yl acetate
6-decenoic acid
2,5-dithiahexane
 dodecanal
 dodecanol
 ethyl (E)-2-octenoate
2-ethyl butyric acid
 ethyl hexanoate
 ethyl palmitate
 ethyl undecanoate
 ethyl undecylenate
gamma-heptalactone
 heptanal 2,3-butane diol acetal
 ivy dioxolane
 jasmin absolute pommade
 massoia lactone
 methyl (Z)-5-octenoate
 methyl 10-undecenal
 methyl 2-thiofuroate
3-methyl crotonic acid
 methyl myristate
4-methyl octanoic acid
dextro,laevo-3-(methyl thio) butanone
3-(methyl thio) methyl thiophene
S-(methyl thio) propionate
 methyl undecanoate
 myristic acid
2,4-nonadien-1-ol
delta-nonalactone
 nonanoic acid
(Z)-2-nonen-1-al
delta-octalactone
gamma-octalactone
(E)-2-octenoic acid
 palmitic acid
 propionic acid
delta-tetradecalactone
 tetradecanal
 vanillic acid

(odor and/or flavor) used in :
 bacon
 butter
 cheese
 chicken
 coconut
 dairy
 fat
 fruit tropical fruit
 herbal
 milk
 mushroom
 nut
 orris iris
 pineapple

natural occurrence in :
data pageblood orange oil italy @ 1.10%
data pagecascarilla bark oil @ trace%
data pagechampaca concrete @ 0.02%
cheese cheddar cheese
data pagecochlospermum planchonii oil @ 0.40%
data pagecochlospermum tinctorium oil @ 1.00%
coconut oil
data pagecroton flavens l. (welensali) leaf oil curacao @ 0.30%
data pagecymbopogon citratus (dc.) stapf. oil cuba @ 0.40%
data pagegenet absolute @ 0.50%
data pageglycosmis pentaphylla (cor.) bark oil india @ 28.10%
data pageglycosmis pentaphylla (cor.) leaf oil india @ 35.00%
data pagelaurel leaf oil turkey @ 0.10%
data pagelemongrass oil rwanda @ 0.32%
data pagelemongrass oil yunnan @ 0.19%
mango
palm oil
data pagerue flower oil colombia @ 1.39%
data pagerue oil china @ 0.80%
data pagerue oil cuba @ 3.72%
data pagewitch hazel leaf oil @ 0.04%
data pagezanthoxylum nitidum l. leaf oil australia @ 7.70%



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