6-decenoic acid
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IUPAC Name - (E)-dec-6-enoic acid
InChI - InChI=1/C10H18O2/c1-2-3-4-5-6-7-8-9-10(11)12/h4-5H,2-3,6-9H2,1H3,(H,11,12)/b5-4+
InChIKey - IZOFWCYKCWUJBY-SNAWJCMRBD
SMILES - CCC\C=C\CCCCC(=O)O
CAS Number : 85392-04-7
(EINECS) Number :286-862-0
FEMA Number :3742
Molar Refractivity :49.99 ± 0.3 cm3 (est)
Parachor :439.0 ± 4.0 cm3 (est)
Index of Refraction :1.462 ± 0.02 (est)
Surface Tension :33.9 ± 3.0 dyne/cm (est)
Density :0.936 ± 0.06 g/cm3 (est)
Polarizability :19.82 ± 0.5 10-24cm3 (est)
XlogP : 3.60 (est)
Molecular Weight : 170.2487200 (IUPAC) (PT) (112)
Formula :C10 H18 O2
NMR Predictor :Predict
 
 
Category :flavoring agents

EU / EUROPA / FDA / JECFA Information :
FDA Mainterm : 6-DECENOIC ACID.

Organoleptics :
Odor Strength :high ,
recommend smelling in a 10.00 % solution or less
Odor Description:
milky buttery

Properties :
Assay : 90.00 to 100.00 %   
Food Chemicals Codex Listed :No
Boiling Point : 270.00 to 272.00 °C. @ 760.00 mm Hg
Flash Ppoint : 339.00  °F.  TCC  ( 170.56 °C. )
logP (o/w) : 3.52

Safety :
Oral Toxicity(LD50) : 
  Not determined
Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 

Safety in Use :
Category :flavoring agents
 
Recommendation for 6-decenoic acid fragrance usage levels up to :
 not for fragrance use.

Safety References :
EPI System :view
EPA Chem. Sub. Inventory : Yes
 
 
 
 
(E)-dec-6-enoic acid
(EINECS) Number :286-862-0
Chemidplus :085392047
EPA Substance Registry Services :85392-04-7

References :
 
(E)-dec-6-enoic acid
Pubchem :199627

Other :
FDA Everything Added to Food in the United States (EAFUS)View
Synonyms :
(E)-dec-6-enoic acid
(E)-6-decenoic acid

Soluble in :
 alcohol

Insoluble in :
 water

Stability :

Potential Blenders :    note
 acetoin acetateFL/FR
 acetyl isobutyrylFL/FR
 acetyl propionylFL/FR
 butyl butyryl lactateFL/FR
 butyl laevo-lactateFL/FR
 butyl octanoateFL/FR
2-butyl thiopheneFL
 butyroinFL
 cinnamyl benzoateFL/FR
 coffee furanoneFL
gamma-decalactoneFL/FR
 diacetylFL
 diacetyl trimerFL
alpha,alpha-dimethyl anisyl acetoneFL/FR
delta-dodecalactoneFL/FR
 ethyl lactateFL/FR
 ethyl palmitateFL/FR
2-ethyl pyrazineFL/FR
 ethyl undecanoateFL/FR
laevo-glutamineCS
2,3-heptane dioneFL/FR
3,4-hexane dioneFL/FR
(Z)-3-hexen-1-yl butyrateFL/FR
 ivy dioxolaneFR
 jasmin pyranoneFL/FR
 linalyl butyrateFL/FR
(R)-massoia lactoneFL
 methyl 2-thiofuroateFL
3-methyl butyl 2-furyl butyrateFL
dextro,laevo-3-(methyl thio) butanoneFL
3-(methyl thio) hexanalFL
delta-nonalactoneFL/FR
gamma-nonalactone (aldehyde C-18)FL/FR
(E)-2-pentenoic acidFL
 prenyl isobutyrateFL/FR
 sodium 4-methyl-2-oxovalerateFL
delta-tetradecalactoneFL/FR
3-tetrahydrothiophenoneFL
2-tridecanoneFL/FR
(E,E)-2,4-undecadien-1-alFL
 vanillic acidFL/FR

Potential Uses :
 butterFL
 creamFL
 milkFL

Natural Occurrence in :    note
 not found in nature  



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