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
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 description :¹
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)
 
recommendation for glyceryl 5-hydroxydodecanoate 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
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

(odor and/or flavor) blends with :
 allyl 2-ethyl butyrate
 allyl cinnamate
 allyl cyclohexyl valerate
 amyl heptanoate
isoamyl laurate
isoamyl octanoate
6-amyl-alpha-pyrone
para-anisyl propionate
 benzyl octanoate
 buchu mercaptan
 butyl decylenate
isobutyl hexanoate
 butyl isovalerate
 citronellyl formate
 coconut decanone
 coconut naphthalenone
 costus valerolactone
 creamy lactone
 cyclohexyl cinnamate
alpha-decalactone
delta-decalactone
gamma-decalactone
 decen-1-yl cyclopentanone
delta-decenolactone
 dehydromenthofurolactone
5,5-dibutyl dihydrofuran-2(3H)-one
 dihydrojasmone lactone
 dimethyl benzofuranone
alpha,alpha-dimethyl benzyl isobutyrate
delta-dodecalactone
epsilon-dodecalactone
gamma-dodecalactone
 dodecanol
delta-2-dodecenolactone
 ethyl cyclohexane propionate
 ethyl undecanoate
 fruity butanate
 fruity cyclopentanone
 furfuryl octanoate
2-furyl pentyl ketone
 geranyl isobutyrate
 glyceryl 5-hydroxydecanoate
 grapefruit menthane
 heliotropin
delta-heptalactone
gamma-heptalactone
2-heptanone
2-heptyl cyclopentanone
gamma-hexalactone
 hexen-1-yl cyclopentanone
4-hydroxybenzyl alcohol
 jasmin lactone
 jasmin pyranone
 lauric acid
 linalyl isovalerate
 massoia bark oil
 massoia lactone
 methyl (Z)-5-octenoate
6-methyl coumarin
7-methyl coumarin
 methyl heptadienone
 methyl laurate
 mint lactone
 myristyl alcohol
delta-nonalactone
gamma-nonalactone
delta-octalactone
gamma-octalactone
 octen-1-yl cyclopentanone
 peach cyclopentanone
 peach nitrile
 peach notes
 peach pivalate
2-pentyl cyclopentanone
 phenethyl isobutyrate
 phenethyl isovalerate
 phthalide
 plum crotonate
 propyl octanoate
isopropyl octanoate
 tetrahydrojasmone
2-tridecanone
delta-undecalactone
gamma-undecalactone
 undecanoic acid
isovaleraldehyde
 whiskey lactone
 wine lactone

(odor and/or flavor) used in :
 coconut
 fig
 fruit tropical fruit
 mango
 peach
 pina colada

natural occurrence in :
not found in nature



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