massoia lactone
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Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
IUPAC name :6-pentyl-5,6-dihydropyran-2-one
InChI :InChI=1/C10H16O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h5,8-9H,2-4,6-7H2,1H3
InChIKey :NEDIAPMWNCQWNW-UHFFFAOYAK
SMILES :CCCCCC1CC=CC(=O)O1
cas number :54814-64-1
(EINECS) number :259-359-9
fema number :3744
fl. number :10.037
molar refractivity :47.62 ± 0.3 cm3
parachor :412.0 ± 6.0 cm3
index of refraction :1.458 ± 0.02
surface tension :31.1 ± 3.0 dyne/cm
density :0.964 ± 0.06 g/cm3
polarizability :18.87 ± 0.5 10-24cm3
XlogP : 3.00
molecular weight : 168.2328400 (IUPAC)
formula :C10 H16 O2
BioActivity Analysis :535786
NMR Predictor :Predict
 
 
export tariff code :2932.29.6000
fda reg :unspecified

Suppliers :
Advanced Biotech :massoia lactone
95% min. natural
Odor:  Coconut, Buttery.
Advanced Biotech :massoia lactone
75% min. natural
Odor:  Coconut, Buttery.
Advanced Biotech :massoia lactone
92% min. natural
Apple :Massoia lactone
Fleurchem :cocolactone
natural
Inoue :delta-DECENOLACTONE
Mane :massoia lactone
(ex Massoia)
Penta :5-hydroxy-2-decenoic acid lactone

organoleptics :
odor type :fruity
odor strength :medium ,
recommend smelling in a 10.00 % solution or less
odor description:
at 10.00 % in propylene glycol.  
sweet peach herbal

properties :
appearence :pale yellow to yellow clear liquid
assay : 95.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :No
boiling point : 286.00 to 287.00 °C. @ 760.00 mm Hg
flash point : 240.00  °F.  TCC  ( 115.56 °C. )
logP (o/w) : 2.54

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

safety in use :
Category :flavoring agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :12.00 (μg/capita/day)
 
recommendation for massoia lactone fragrance usage levels up to :
 PROHIBITED : Should not be used as a fragrance ingredient.
recommendation for massoia lactone flavor usage levels up to :
  20.0000 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
IFRA :IFRA - ( Found under : Massoia lactone )
Canada Domestic Sub. List :Yes
 
 
 
 
6-pentyl-5,6-dihydropyran-2-one
(EINECS) number :259-359-9
chemidplus :054814641
EPA Substance Registry Services :54814-64-1
dtp/nci :720841

references :
Leffingwell :chirality
 
6-pentyl-5,6-dihydropyran-2-one
fl. number :10.037
NIST Chemistry WebBook :3585898595
pubchem :740285
Flavornet :54814-64-1

Cosmetics :
Cosmetic uses : not used anymore
perfuming agents

other :
CosIng :cosmetic data
VCF-Online: VCF Volatile Compounds in Food
synonyms :
 cocolactone
 dec-2-eno-1,5-lactone
delta-decenolactone
5,6-dihydro-6-pentyl-2H-pyran-2-one
5-hydroxy-2-decenoic acid delta-lactone
 massoia lactone
6-pentyl-5,6-dihydropyran-2-one

soluble in :
 alcohol

insoluble in :
 water

potential blenders :    note
 allyl 2-ethyl butyrateFL
 allyl cinnamateFL/FR
 allyl cyclohexyl valerateFL
isoamyl laurateFL/FR
para-anisyl propionateFL/FR
 benzyl octanoateFL/FR
 buchu mercaptanFL/FR
 butyl decylenateFL/FR
isobutyl hexanoateFL/FR
 butyl isovalerateFL/FR
 citronellyl formateFL/FR
 creamy lactoneFL/FR
 cyclohexyl cinnamateFL/FR
delta-decalactoneFL/FR
gamma-decalactoneFL/FR
 decen-1-yl cyclopentanoneFL/FR
alpha,alpha-dimethyl benzyl isobutyrateFL/FR
delta-dodecalactoneFL/FR
epsilon-dodecalactoneFL/FR
gamma-dodecalactoneFL/FR
 ethyl cyclohexane propionateFL/FR
 fruity butanateFR
 fruity cyclopentanoneFR
 furfuryl octanoateFL
2-furyl pentyl ketoneFL
 geranyl isobutyrateFL/FR
 glyceryl 5-hydroxydecanoateFL/FR
 glyceryl 5-hydroxydodecanoateFL/FR
 grapefruit menthaneFL/FR
2-heptyl cyclopentanoneFR
 jasmin lactoneFL/FR
 jasmin pyranoneFL/FR
 linalyl isovalerateFL/FR
 octen-1-yl cyclopentanoneFL/FR
 peach cyclopentanoneFR
 peach nitrileFR
 peach pivalateFR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 plum crotonateFR
delta-undecalactoneFL/FR
gamma-undecalactoneFL/FR
isovaleraldehydeFL

potential uses :
 fruit
 tropical

natural occurrence in :    note
 found in nature  

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