delta-decalactone
 
Right Click Picture For More Options. (Safari 1.2 (v125) Compatible).
 
IUPAC name :6-pentyloxan-2-one
InChI :InChI=1/C10H18O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3
InChIKey :GHBSPIPJMLAMEP-UHFFFAOYAW
SMILES :CCCCCC1CCCC(=O)O1
(EINECS) number :211-889-1
cas number :705-86-2
beilstein number :0117520
fema number :2361
coe number :621
jecfa number :232
fl. number :10.007
molar refractivity :48.01 ± 0.3 cm3
parachor :424.4 ± 6.0 cm3
index of refraction :1.443 ± 0.02
surface tension :30.1 ± 3.0 dyne/cm
density :0.940 ± 0.06 g/cm3
polarizability :19.03 ± 0.5 10-24cm3
xlogp : 3.10
molecular weight : 170.2487200
formula :C10 H18 O2
 

 
IUPAC name :(6R)-6-pentyloxan-2-one
InChI :InChI=1/C10H18O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3/t9-/m1/s1
InChIKey :GHBSPIPJMLAMEP-SECBINFHBT
SMILES :CCCCC[C@@H]1CCCC(=O)O1
cas number :2825-91-4
molar refractivity :48.01 ± 0.3 cm3
parachor :424.4 ± 6.0 cm3
index of refraction :1.443 ± 0.02
surface tension :30.1 ± 3.0 dyne/cm
density :0.940 ± 0.06 g/cm3
polarizability :19.03 ± 0.5 10-24cm3
xlogp : 3.10
molecular weight : 170.2487200
formula :C10 H18 O2
 

 
IUPAC name :(6S)-6-pentyloxan-2-one
InChI :InChI=1/C10H18O2/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3/t9-/m0/s1
InChIKey :GHBSPIPJMLAMEP-VIFPVBQEBQ
SMILES :CCCCC[C@H]1CCCC(=O)O1
cas number :59285-67-5
molar refractivity :48.01 ± 0.3 cm3
parachor :424.4 ± 6.0 cm3
index of refraction :1.443 ± 0.02
surface tension :30.1 ± 3.0 dyne/cm
density :0.940 ± 0.06 g/cm3
polarizability :19.03 ± 0.5 10-24cm3
xlogp : 3.10
molecular weight : 170.2487200
formula :C10 H18 O2
 

 
export tariff code :2932.29.6000
fda reg :unspecified
 

Suppliers :
Bedoukian Research :delta-DECALACTONE
≥98.0% (sum of isomers), Kosher
Fleurchem :d-decalactone
natural
Fleurchem :d-decalactone
Fontarome Chemical :DELTA-DECALACTONE
International Flavors & Fragrances :delta-Decalactone
≥98.00%, natural, Kosher
Sigma-Aldrich-SAFC :delta-Decalactone
≥98%, FCC, Kosher
Sigma-Aldrich-SAFC :delta-Decalactone
≥98%, natural, FCC, Kosher, FG

organoleptics :
odor type :coconut
odor strength :medium
odor description :
at 100.00 %.  
sweet oily coconut fruity peach creamy dairy
substantivity :400  Hour(s)

properties :
appearence :colorless clear liquid
assay : 98.00 to 100.00 %   sum of isomers
Food Chemicals Codex Listed :Yes
specific gravity :0.95800 to 0.97600 @ 25.00 °C.
pounds per gallon - calc. : 7.972 to 8.121
refractive index :1.45600 to 1.45900 @ 20.00 °C.
melting point : -27.00 °C. @ 760.00 mm Hg
boiling point : 117.00 to 120.00 °C. @ 0.02 mm Hg
boiling point : 281.00 °C. @ 760.00 mm Hg
acid value : 5.00  max.  KOH/g
saponification value :323.00 to 333.00
logp : 2.42
shelf life : 12.00 month(s) or longer if stored properly.
storage :store in cool, dry place in tightly sealed containers, protected from heat and light.

safety :
most important hazard(s) : Xi - Irritant
Oral Toxicity(LD50) : Oral-Rat    >5000.00  mg/kg    (Levenstein, 1975c)
Dermal Toxicity(LD50) : Skin-Rabbit  >5.00  gm/kg  FCTXAV  
Maximised Survey-derived Daily Intakes (MSDI-EU) :7200.00 (μg/capita/day)
flash point ( Deg. F. ) :> 230.00  °F.  TCC  ( > 110.00 °C. )
recommendation for delta-decalactone usage levels up to :
  8.0000 % in the fragrance concentrate.
recommendation for delta-decalactone usage levels up to :
  50.0000 ppm in the flavor.

safety links :
 
 
(EINECS) number :211-889-1
RTECS :UQ1355000 for 705-86-2
chemidplus :000705862
EPA Substance Registry Services :705-86-2
NLM Chemical Carcinogenesis Research Information System :705-86-2
NLM Developmental and Reproductive Toxicity :705-86-2
NLM Env. Mutagen Info. Center :705-86-2
NLM GENetic TOXicology :705-86-2
 
 
chemidplus :2825-91-4
EPA Substance Registry Services :2825-91-4
NLM Chemical Carcinogenesis Research Information System :2825-91-4
NLM Developmental and Reproductive Toxicity :2825-91-4
NLM Env. Mutagen Info. Center :2825-91-4
NLM GENetic TOXicology :2825-91-4
 
 
chemidplus :59285-67-5
EPA Substance Registry Services :59285-67-5
NLM Chemical Carcinogenesis Research Information System :59285-67-5
NLM Developmental and Reproductive Toxicity :59285-67-5
NLM Env. Mutagen Info. Center :59285-67-5
NLM GENetic TOXicology :59285-67-5
EPI System :view

other :

references :
jecfa number :232
fl. number :10.007
pubchem :156154
NIST Chemistry WebBook :679419431
pubchem :40891473
pubchem :43216243
synonyms :
5-amyl-5-hydroxypentanoic acid lactone
5-N-amyl-5-hydroxypentanoic acid lactone
 amyl-delta-valerolactone
delta-amyl-delta-valerolactone
5-decalactone
delta-decalactone
 decan-5-olide
5-decanolide
 decanolide-1,5
5-hydroxydecanoic acid delta-lactone
6-pentyl tetrahydro-2H-pyran-2-one
5-pentyl-5-pentanolide
delta-pentyl-delta-valerolactone
 tetrahydro-6-pentyl-2H-pyran-2-one

soluble in :
 alcohol
 fixed oils
 propylene glycol
 water, very slightly

insoluble in :
 water

(odor and/or flavor) blends with :
 acetoin
 acetoin acetate
 acetyl butyryl
 acetyl isobutyryl
 acetyl isovaleryl
 acetyl nonyryl
 acetyl propionyl
 allyl 2-ethyl butyrate
 allyl amyl glycolate
 allyl cinnamate
 allyl cyclohexyl propionate
 allyl cyclohexyl valerate
 allyl methyl trisulfide
 allyl nonanoate
 amyl heptanoate
isoamyl laurate
isoamyl octanoate
isoamyl salicylate
6-amyl-alpha-pyrone
 amyris wood oil
 animal carbolactone
para-anisyl alcohol
para-anisyl propionate
 benzyl cinnamate
 benzyl octanoate
 benzylidene acetone
 blood orange oil
 buchu mercaptan
isobutyl benzyl carbinol
 butyl butyryl lactate
 butyl decylenate
isobutyl hexanoate
 butyl isovalerate
 butyl lactate
 butyl laevo-lactate
2-butyl thiophene
 butyric acid
2-oxobutyric acid
gamma-butyrolactone
 caramel furanone
 carrot seed oil
 cassia bark oil
 cinnamyl alcohol
 citronellyl formate
 clove bud oil
 clover nitrile
 coconut decanone
 coconut naphthalenone
 coriander seed oil
 costus valerolactone
 creamy lactone
 currant bud absolute black
 cyclamen aldehyde
 cyclohexyl cinnamate
 cyclohexyl ethyl alcohol
 dairy lactone
alpha-damascone
beta-damascone
 davana oil
alpha-decalactone
gamma-decalactone
 decen-1-yl cyclopentanone
6-decenoic acid
delta-decenolactone
 dehydromenthofurolactone
 diacetyl
5,5-dibutyl dihydrofuran-2(3H)-one
 dihydrojasmone
 dihydrojasmone lactone
1,2-dimethoxybenzene
 dimethyl anthranilate
 dimethyl benzofuranone
 dimethyl benzyl carbinyl butyrate
alpha,alpha-dimethyl benzyl isobutyrate
delta-dodecalactone
epsilon-dodecalactone
gamma-dodecalactone
 dodecanol
delta-2-dodecenolactone
 ethyl cinnamate
 ethyl cyclohexane propionate
 ethyl maltol
 ethyl palmitate
 ethyl undecanoate
 ethyl undecylenate
 ethyl vanillin
 ethyl vanillin isobutyrate
 ethyl vanillin propylene glycol acetal
isoeugenyl acetate
 farnesyl acetone
 floral pyranol
 fruity butanate
 fruity cyclopentanone
 furfuryl octanoate
2-furyl pentyl ketone
 geraniol
 geranyl isobutyrate
 glyceryl 5-hydroxydecanoate
 glyceryl 5-hydroxydodecanoate
 grapefruit menthane
 green acetate
 heliotropin
 heliotropyl acetate
 heliotropyl acetone
delta-heptalactone
gamma-heptalactone
 heptanal 2,3-butane diol acetal
2-heptanone
(Z)-4-hepten-1-al
(Z)-4-hepten-1-al diethyl acetal
(Z)-4-hepten-1-ol
2-heptyl cyclopentanone
3-heptyl dihydro-5-methyl-2(3H)-furanone
gamma-hexalactone
 hexen-1-yl cyclopentanone
2-hexen-1-yl cyclopentanyl acetate
alpha-hexyl cinnamaldehyde
4-hydroxybenzyl alcohol
 ionones
 ivy dioxolane
 jasmin lactone
 jasmin pyranone
 leerall
 levulinic acid
 linalool oxide
 linalyl isovalerate
 maltol
 massoia bark oil
 massoia lactone
 methional
 methyl (Z)-5-octenoate
 methyl 2-thiofuroate
 methyl cinnamate
6-methyl coumarin
7-methyl coumarin
 methyl cyclopentenolone
 methyl dihydrojasmonate
 methyl heptadienone
2-methyl heptanoic acid
 methyl ionones
 methyl laurate
4-methyl octanoic acid
dextro,laevo-3-(methyl thio) butanone
 mint lactone
 musks
 myristyl alcohol
 nerolidol
(E,Z)-2,6-nonadien-1-ol
delta-nonalactone
gamma-nonalactone
2-nonanol
1-nonen-3-ol
 ocean propanal
2,4-octadien-1-ol
delta-octalactone
gamma-octalactone
 octen-1-yl cyclopentanone
3-octen-2-ol
4-octen-3-one
 octyl 2-furoate
 octyl butyrate
 octyl isobutyrate
 peach cyclopentanone
 peach nitrile
 peach pivalate
2-pentyl cyclopentanone
 phenethyl isobutyrate
 phenethyl isovalerate
 phthalide
 plum crotonate
 propyl octanoate
isopropyl octanoate
 raspberry ketone
 rose butanoate
 santall
 strawberry furanone
 strawberry furanone acetate
 strawberry glycidate 1
alpha-terpineol
delta-tetradecalactone
 tetrahydrojasmone
 tonka bean absolute
 tonka ketone
2-tridecanone
delta-undecalactone
gamma-undecalactone
 undecanoic acid
10-undecen-1-al
isovaleraldehyde
 vanilla absolute
 vanilla carboxylate
 vanilla oleoresin
 vanillic acid
 vanillin
 vanillyl acetate
 vanillyl alcohol
 vanillyl isobutyrate
 vanillylidene acetone
 watermelon ketone
 whiskey lactone
 wine lactone
 woody amylene

(odor and/or flavor) used in :
 apricot
 butter
 coconut
 cream
 dairy
 mango
 nectarine
 nut
 nut pecan
 peach
 pina colada
 raspberry
 strawberry
 tropical

natural occurrence in :
butter heated butter
data pagechampaca concrete @ trace%
coconut
nectarine
data pageosmanthus absolute @ trace%
peach
raspberry
rum
strawberry



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