(R)-massoia lactone
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IUPAC name :(6R)-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/t9-/m1/s1
InChIKey :NEDIAPMWNCQWNW-SECBINFHBH
SMILES :CCCCC[C@@H]1CC=CC(=O)O1
cas number :51154-96-2
beilstein number :4177048
fema number :3744
jecfa number :246
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
pherobase floral:view
NMR Predictor :Predict
 
 
IUPAC name :(6S)-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/t9-/m0/s1
InChIKey :NEDIAPMWNCQWNW-VIFPVBQEBE
SMILES :CCCCC[C@H]1CC=CC(=O)O1
cas number :51154-96-2  (S)
beilstein number :4177048
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 :536052
NMR Predictor :Predict
 
 
export tariff code :2932.29.6000
fda reg :unspecified
Suppliers :
Charabot :massoia lactone
Citrus and Allied Essences :Massoia Lactone
95% (natural)
Fleurchem :massoia lactone
natural
Mooreganics :Massoia Lactone
Natural (Organic Compliant)
Odor:  SWEET, CREAMY, COCONUT, SLIGHTLY FRUITY, COCOA
Penta :massoia lactone
organoleptics :
odor type :coconut
odor strength :medium ,
recommend smelling in a 1.00 % solution or less
odor description:
at 1.00 % in propylene glycol.  		sweet coconut meat lactonic creamy milky waxy
odor description:
Sweet, coconut meat, Iactonic, creamy, milky and waxy
Mosciano, Gerard P&F 19, No. 1, 27, (1994)
taste description:
at 20.00 ppm.  		Creamy, coconut, milky, green and slightly fruity
Mosciano, Gerard P&F 19, No. 1, 27, (1994)
properties :
appearence :pale yellow clear liquid
assay : 95.00 to 100.00 %   
Food Chemicals Codex Listed :No
specific gravity :0.98200 to 0.99200 @ 25.00 °C.
pounds per gallon - calc. : 8.171 to 8.254
refractive index :1.46700 to 1.47700 @ 20.00 °C.
boiling point : 170.00 to 174.00 °C. @ 760.00 mm Hg
boiling point : 112.00 °C. @ 1.40 mm Hg
flash point :> 200.00  °F.  TCC  ( > 93.33 °C. )
logP (o/w) : 2.54
safety :
most important hazard(s) : Xi - Irritant
Oral Toxicity(LD50) : 
  Oral-Mouse    1890.00  mg/kg

Dermal Toxicity(LD50) : 
  Not determined
Inhalation Toxicity(LC50) : 
  Not determined
 
safety in use :
Category :flavoring agents
 
recommendation for (R)-massoia lactone fragrance usage levels up to :
 PROHIBITED : Should not be used as a fragrance ingredient.
recommendation for (R)-massoia lactone flavor usage levels up to :
  20.0000 ppm in the flavor.
safety references :
EPI System :view
IFRA :IFRA - ( Found under : Massoia lactone )
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
 
 
 
(6R)-6-pentyl-5,6-dihydropyran-2-one
chemidplus :051154962
EPA Substance Registry Services :51154-96-2
 
(6S)-6-pentyl-5,6-dihydropyran-2-one
references :
Leffingwell :chirality
 
(6R)-6-pentyl-5,6-dihydropyran-2-one
jecfa number :246
NIST Chemistry WebBook :51154962
pubchem :839346
 
(6S)-6-pentyl-5,6-dihydropyran-2-one
pubchem :536052
other :
VCF-Online: VCF Volatile Compounds in Food
FDA Everything Added to Food in the United States (EAFUS)View
synonyms :
(R)-cocolactone
(R)-5,6-dihydro-6-pentyl-2H-pyran-2-one
(R)-5-hydroxy-2-decenoic acid lactone
(R)-massoilactone
(6R)-6-pentyl-5,6-dihydropyran-2-one
soluble in :
 alcohol
insoluble in :
 water
potential blenders :    note
 acetoinFL/FR
 acetoin acetateFL/FR
 acetyl butyrylFL/FR
 acetyl isobutyrylFL/FR
 acetyl isovalerylFL
 acetyl nonyrylFL/FR
 acetyl propionylFL/FR
 allyl methyl trisulfideFL
 allyl nonanoateFL/FR
 amber carbinolFR
 ambroxanFL/FR
alpha-amyl cinnamaldehydeFL/FR
 amyl heptanoateFL/FR
isoamyl octanoateFL/FR
isoamyl phenyl acetateFL/FR
isoamyl salicylateFL/FR
6-amyl-alpha-pyroneFL/FR
 amyris wood oilFL/FR
para-anisaldehydeFL/FR
para-anisyl alcoholFL/FR
 benzoin resinoidFL/FR
 benzyl acetateFL/FR
 benzyl cinnamateFL/FR
 benzyl propionateFL/FR
 benzyl salicylateFL/FR
 benzylidene acetoneFL
 bergamot oilFL/FR
 bois de rose oilFL/FR
isobutyl benzyl carbinolFL/FR
 butyl butyryl lactateFL/FR
isobutyl cinnamateFL/FR
 butyl lactateFL/FR
 butyl laevo-lactateFL/FR
2-butyl thiopheneFL
 butyric acidFL
2-oxobutyric acidFL
gamma-butyrolactoneFL/FR
 caramel furanoneFL
 cassia bark oilFL/FR
 cinnamyl alcoholFL/FR
 citronellolFL/FR
 clary sage oilFL/FR
 clover nitrileFR
 coconut decanoneFR
 coconut naphthalenoneFL/FR
 coriander seed oilFL/FR
 costus valerolactoneFR
 coumarinFR
 creamy lactoneFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl ethyl alcoholFL/FR
 dairy lactoneFL/FR
alpha-decalactoneFR
delta-decalactoneFL/FR
gamma-decalactoneFL/FR
 decanolFL/FR
6-decenoic acidFL
 dehydromenthofurolactoneFL
 diacetylFL
5,5-dibutyl dihydrofuran-2(3H)-oneFL
 dihydrojasmoneFL/FR
 dihydrojasmone lactoneFL/FR
1,2-dimethoxybenzeneFL/FR
 dimethyl benzofuranoneFL
 dimethyl benzyl carbinolFL/FR
 dimethyl benzyl carbinyl butyrateFL/FR
delta-dodecalactoneFL/FR
 dodecanalFL/FR
 dodecanolFL/FR
delta-2-dodecenolactoneFL/FR
 ethyl cinnamateFL/FR
 ethyl maltolFL/FR
 ethyl palmitateFL/FR
 ethyl undecanoateFL/FR
 ethyl undecylenateFL/FR
 ethyl vanillinFL/FR
 ethyl vanillin isobutyrateFL/FR
 ethyl vanillin propylene glycol acetalFL/FR
isoeugenyl acetateFL/FR
 farnesyl acetoneFL/FR
 floral pyranolFR
 geraniolFL/FR
laevo-glutamineCS
 glyceryl 5-hydroxydecanoateFL/FR
 glyceryl 5-hydroxydodecanoateFL/FR
 guaiacwood oilFL/FR
 heliotropinFL/FR
 heliotropyl acetoneFL/FR
delta-heptalactoneFL/FR
gamma-heptalactoneFL/FR
 heptanal 2,3-butane diol acetalFL
2-heptanoneFL/FR
(Z)-4-hepten-1-alFL/FR
(Z)-4-hepten-1-al diethyl acetalFL/FR
(Z)-4-hepten-1-olFL/FR
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
gamma-hexalactoneFL/FR
 hexen-1-yl cyclopentanoneFR
(Z)-3-hexen-1-yl salicylateFL/FR
alpha-hexyl cinnamaldehydeFL/FR
 hyacinth etherFR
4-hydroxybenzyl alcoholFL/FR
 hydroxycitronellalFL/FR
 ionones 
 ivy dioxolaneFR
 jasmin lactoneFL/FR
 labdanum resinoidFR
 lauric acidFR
 leerallFR
 levulinic acidFL
 linaloolFL/FR
laevo-linaloolFL/FR
 linalool oxideFL/FR
 massoia bark oilFL
 methionalFL
 methyl (Z)-5-octenoateFL
 methyl 2-thiofuroateFL
 methyl acetophenoneFL/FR
 methyl cedryl ketoneFL/FR
alpha-methyl cinnamaldehydeFL/FR
 methyl cinnamateFL/FR
6-methyl coumarinFL
7-methyl coumarinCS
 methyl cyclopentenoloneFL/FR
 methyl dihydrojasmonateFL/FR
 methyl heptadienoneFL/FR
 methyl ionones 
 methyl laurateFL/FR
4-methyl octanoic acidFL
dextro,laevo-3-(methyl thio) butanoneFL
 mint lactoneFL/FR
 muguet carboxaldehydeFR
 musks 
 myristyl alcoholFL/FR
beta-naphthyl ethyl etherFL/FR
 nerolFL/FR
 nerolidolFL/FR
delta-nonalactoneFL/FR
gamma-nonalactoneFL/FR
2-nonanolFL/FR
1-nonen-3-olFL/FR
 ocean propanalFL/FR
2,4-octadien-1-olFL/FR
delta-octalactoneFL/FR
gamma-octalactoneFL/FR
3-octen-2-olFL/FR
 octyl 2-furoateFL
 octyl isobutyrateFL/FR
 patchouli ethanoneFR
2-pentyl cyclopentanoneFR
 phenethyl alcoholFL/FR
 phenethyl phenyl acetateFL/FR
3-phenyl propyl alcoholFL/FR
 propyl octanoateFL/FR
isopropyl octanoateFL/FR
 raspberry ketoneFL/FR
 raspberry ketone acetateFL/FR
 raspberry ketone methyl etherFL/FR
 rhodinolFL/FR
 santallFR
 strawberry furanoneFL/FR
 strawberry furanone acetateFL/FR
 strawberry glycidate 1FL/FR
alpha-terpineolFL/FR
delta-tetradecalactoneFL/FR
 tetrahydrojasmoneFR
 triacetinCS
2-tridecanoneFL/FR
delta-undecalactoneFL/FR
gamma-undecalactoneFL/FR
 undecanoic acidFL/FR
 vanilla absoluteFL/FR
 vanilla oleoresinFL/FR
 vanillic acidFL/FR
 vanillinFL/FR
 vanillyl acetateFL/FR
 vanillyl alcoholFL/FR
 vanillyl isobutyrateFL/FR
 vanillylidene acetoneFL/FR
 whiskey lactoneFL/FR
 wine lactoneFL/FR
 woody acetateFR
 woody amyleneFR
potential uses :
 coconut
 cream
 nut
 vanilla
 waxy
natural occurrence in :    note
data pagecistus oil @ 0.1% S
 cryptocaria massoia S
 massoi bark oil S
 osmanthus S
 tobacco burley tobacco S
 tuberose  
 wine  

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