glyceryl 5-hydroxydodecanoate
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IUPAC name :2,3-dihydroxypropyl 5-hydroxydodecanoate
InChI :InChI=1/C15H30O5/c1-2-3-4-5-6-8-13(17)9-7-10-15(19)20-12-14(18)11-16/h13-14,16-18H,2-12H2,1H3
InChIKey :KCEQGTJBAICOKH-UHFFFAOYAD
SMILES :CCCCCCCC(CCCC(=O)OCC(CO)O)O
cas number :26446-32-2
(EINECS) number :247-700-4
fema number :3686
coe number :10649
jecfa number :924
fl. number :09.544
molar refractivity :77.83 ± 0.3 cm3
parachor :698.6 ± 4.0 cm3
index of refraction :1.482 ± 0.02
surface tension :42.9 ± 3.0 dyne/cm
density :1.064 ± 0.06 g/cm3
polarizability :30.85 ± 0.5 10-24cm3
XlogP : 2.40
molecular weight : 290.3957000 (IUPAC)
formula :C15 H30 O5
NMR Predictor :Predict
 
 
export tariff code :unspecified
fda reg :unspecified

Suppliers :
Penta :glyceryl-5-hydroxydodecanoate

organoleptics :
odor type :tropical
odor strength :medium
odor description¹ :
at 100.00 %.  
fresh peach fruity coconut oily
odor sample from :Grindsted Products, Inc.
substantivity :400  Hour(s)

properties :
appearence :colorless to pale yellow clear viscous liquid
assay : 98.00 to 100.00 %   
additional assay information :98 total glycerol, mono-, di- and tri-glycerides
Food Chemicals Codex Listed :No
specific gravity :1.00700 to 1.01300 @ 25.00 °C.
pounds per gallon - calc. : 8.379 to 8.429
refractive index :1.46400 to 1.46700 @ 20.00 °C.
boiling point : 120.00 °C. @ 1.00 mm Hg
acid value : 10.00  max.  KOH/g
flash point :> 200.00  °F.  TCC  ( > 93.33 °C. )
logP (o/w) : 2.15

safety :
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) :3.00 (μg/capita/day)
Maximised Survey-derived Daily Intakes (MSDI-USA) :0.00 (μg/capita/day)
Structure Class :I
 
recommendation for glyceryl 5-hydroxydodecanoate fragrance usage levels up to :
  5.0000 % 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
 
 
 
 
2,3-dihydroxypropyl 5-hydroxydodecanoate
(EINECS) number :247-700-4
chemidplus :026446322
EPA Substance Registry Services :26446-32-2

references :
 
2,3-dihydroxypropyl 5-hydroxydodecanoate
fl. number :09.544
jecfa number :924
pubchem :204878

other :
reference : Luebke, William tgsc, (1987)¹
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
2,3-dihydroxypropyl 5-hydroxydodecanoate
5-delta-dodecalactone
 glyceryl mono(5-hydroxydodecanoate)
5-hydroxydodecanoic acid monoester with glycerol
1,2,3-propane triol mono(5-hydroxydodecanoate)

soluble in :
 alcohol

insoluble in :
 water

potential blenders :
 allyl 2-ethyl butyrateFL
 allyl cinnamateFL/FR
 allyl cyclohexyl valerateFL
 amyl heptanoateFL/FR
isoamyl laurateFL/FR
isoamyl octanoateFL/FR
6-amyl-alpha-pyroneFL/FR
para-anisyl propionateFL/FR
 benzyl octanoateFL/FR
 buchu mercaptanFL/FR
 butyl decylenateFL/FR
isobutyl hexanoateFL/FR
 butyl isovalerateFL/FR
 citronellyl formateFL/FR
 coconut decanoneFR
 coconut naphthalenoneFL/FR
 costus valerolactoneFR
 creamy lactoneFL/FR
 cyclohexyl cinnamateFL/FR
alpha-decalactoneFL/FR
delta-decalactoneFL/FR
gamma-decalactoneFL/FR
 decen-1-yl cyclopentanoneFL/FR
delta-decenolactoneFL/FR
 dehydromenthofurolactoneFL/FR
5,5-dibutyl dihydrofuran-2(3H)-oneFL/FR
 dihydrojasmone lactoneFL/FR
 dimethyl benzofuranoneFL
alpha,alpha-dimethyl benzyl isobutyrateFL/FR
delta-dodecalactoneFL/FR
epsilon-dodecalactoneFL/FR
gamma-dodecalactoneFL/FR
 dodecanolFL/FR
delta-2-dodecenolactoneFL/FR
 ethyl cyclohexane propionateFL/FR
 ethyl undecanoateFL/FR
 fruity butanateFR
 fruity cyclopentanoneFR
 furfuryl octanoateFL/FR
2-furyl pentyl ketoneFL
 geranyl isobutyrateFL/FR
 glyceryl 5-hydroxydecanoateFL/FR
 grapefruit menthaneFL/FR
 heliotropinFL/FR
delta-heptalactoneFL/FR
gamma-heptalactoneFL/FR
2-heptanoneFL/FR
2-heptyl cyclopentanoneFR
gamma-hexalactoneFL/FR
 hexen-1-yl cyclopentanoneFR
4-hydroxybenzyl alcoholFL/FR
 jasmin lactoneFL/FR
 jasmin pyranoneFL/FR
 lauric acidFL/FR
 linalyl isovalerateFL/FR
 massoia bark oilFL
 massoia lactoneFL
 methyl (Z)-5-octenoateFL/FR
6-methyl coumarinFL
7-methyl coumarinFL
 methyl heptadienoneFL/FR
 methyl laurateFL/FR
 mint lactoneFL/FR
 myristyl alcoholFL/FR
delta-nonalactoneFL/FR
gamma-nonalactoneFL/FR
delta-octalactoneFL/FR
gamma-octalactoneFL/FR
 octen-1-yl cyclopentanoneFL/FR
 peach cyclopentanoneFR
 peach nitrileFR
 peach notes 
 peach pivalateFR
2-pentyl cyclopentanoneFR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 phthalideFL/FR
 plum crotonateFR
 propyl octanoateFL/FR
isopropyl octanoateFL/FR
 tetrahydrojasmoneFR
2-tridecanoneFL/FR
delta-undecalactoneFL/FR
gamma-undecalactoneFL/FR
 undecanoic acidFL
isovaleraldehydeFL
 whiskey lactoneFL/FR
 wine lactoneFL/FR

potential uses :
 coconut
 fig
 fruit tropical fruit
 mango
 peach
 pina colada

natural occurrence in :
 not found in nature  



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