undecanoic acid
Notes :
Blends well with aldehydes.
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :undecanoic acid
InChI :InChI=1/C11H22O2/c1-2-3-4-5-6-7-8-9-10-11(12)13/h2-10H2,1H3,(H,12,13)
InChIKey :ZDPHROOEEOARMN-UHFFFAOYAS
SMILES :CCCCCCCCCCC(=O)O
(EINECS) number :203-964-2
cas number :112-37-8
beilstein number :1759287
fema number :3245
coe number :696
jecfa number :108
fl. number :08.042
molar refractivity :54.57 ± 0.3 cm3
parachor :491.5 ± 4.0 cm3
index of refraction :1.445 ± 0.02
surface tension :33.2 ± 3.0 dyne/cm
density :0.909 ± 0.06 g/cm3
polarizability :21.63 ± 0.5 10-24cm3
xlogp : 4.70
molecular weight : 186.2911800
formula :C11 H22 O2
BioActivity Analysis :73650
 
 
export tariff code :2915.90.0000
fda reg :unspecified
 

Suppliers :
Sigma-Aldrich-SAFC :Undecanoic acid
≥97%

organoleptics :
odor type :waxy
odor strength :medium
odor description :
at 100.00 %.  
waxy creamy cheese fatty coconut

properties :
appearence :colorless crystals
assay : 97.00 to 100.00 %   
Food Chemicals Codex Listed :No
melting point : 28.00 to 31.00 °C. @ 760.00 mm Hg
boiling point : 228.00 °C. @ 160.00 mm Hg
boiling point : 164.00 to 165.00 °C. @ 15.00 mm Hg
congealing point :27.00
logp : 4.42

safety :
Oral Toxicity(LD50) : Not determined
Dermal Toxicity(LD50) : Not determined
flash point ( Deg. F. ) :> 230.00  °F.  TCC  ( > 110.00 °C. )
recommendation for undecanoic acid usage levels up to :
 not for fragrance use.
recommendation for undecanoic acid usage levels up to :
  20.0000 ppm in the flavor.

safety references :
EPI System :view
 
 
 undecanoic acid
(EINECS) number :203-964-2
RTECS :YQ2275000 for 112-37-8
chemidplus :000112378
EPA Substance Registry Services :112-37-8
NLM Chemical Carcinogenesis Research Information System :112-37-8
NLM Developmental and Reproductive Toxicity :112-37-8
NLM Env. Mutagen Info. Center :112-37-8
NLM GENetic TOXicology :112-37-8
dtp/nci :7885

references :
 undecanoic acid
jecfa number :108
fl. number :08.042
pubchem :151309
NIST Chemistry WebBook :4114931888

other :
synonyms :
1-decane carboxylic acid
 hendecanoic acid
 undecanoic acid
N-undecanoic acid
 undecoic acid
N-undecoic acid
 undecylic acid
N-undecylic acid

soluble in :
 alcohol
 water, 52 mg/L @ 30C

insoluble in :
 water

(odor and/or flavor) blends with :
 acetoin
 acetoin acetate
 acetyl butyryl
 acetyl isobutyryl
 acetyl isovaleryl
 acetyl propionyl
 benzyl lactate
 butyl butyryl lactate
 butyl octanoate
 butyl undecylenate
 butyric acid
isobutyric acid
 butyroin
 cinnamyl benzoate
 coffee furanone
 creamy lactone
 cyclohexyl acetic acid
gamma-decalactone
6-decenoic acid
 diacetyl
 diacetyl trimer
5,5-dibutyl dihydrofuran-2(3H)-one
alpha,alpha-dimethyl anisyl acetone
delta-dodecalactone
 ethyl lactate
2-ethyl pyrazine
 ethyl undecanoate
2,3-heptane dione
(Z)-4-hepten-1-al
3,4-hexane dione
(E)-2-hexen-1-al
(Z)-3-hexen-1-yl butyrate
 jasmin pyranone
 lauric acid
 linalyl butyrate
3-methyl butyl 2-furyl butyrate
2-methyl heptanoic acid
5-methyl hexanoic acid
3-(methyl thio) hexanal
gamma-nonalactone
2,4-octadien-1-ol
delta-octalactone
1-octen-3-yl butyrate
(E)-2-pentenoic acid
 prenyl isobutyrate
 sodium 4-methyl-2-oxovalerate
delta-tetradecalactone
3-tetrahydrothiophenone
(E,E)-2,4-undecadien-1-al
delta-undecalactone
 waxy lactone

(odor and/or flavor) used in :
 aldehydic
 butter
 cheese
 coconut
 cream
 dairy
 emulsifying agents
 floral
 rose

natural occurrence in :
butter
data pagecistus oil @ 0.3%
coconut
grapefruit
data pagelime oil expressed florida @ trace%
mushroom
data pageosmanthus absolute @ 3.10%
rum
thyme
whiskey



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