delta-decalactone
Suppliers  Organoleptics  properties  safety  references  cosmetics    FEMA Index    Home Page
 
Right Click Jmol Molecule For More Options. (Safari 1.2 (v125) Compatible). Jmol is a free download found Here.
 
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
CAS Number : 705-86-2
(EINECS) Number :211-889-1
Beilstein Number :0117520
FEMA Number :2361
COE Number :621
Molar Refractivity :48.01 ± 0.3 cm3 (est)
Parachor :424.4 ± 6.0 cm3 (est)
Index of Refraction :1.443 ± 0.02 (est)
Surface Tension :30.1 ± 3.0 dyne/cm (est)
Density :0.940 ± 0.06 g/cm3 (est)
Polarizability :19.03 ± 0.5 10-24cm3 (est)
XlogP : 3.10 (est)
Molecular Weight : 170.2487200 (IUPAC) (PT) (112)
Formula :C10 H18 O2
Pherobase Floral:view
NMR Predictor :Predict
 
 
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 (est)
Parachor :424.4 ± 6.0 cm3 (est)
Index of Refraction :1.443 ± 0.02 (est)
Surface Tension :30.1 ± 3.0 dyne/cm (est)
Density :0.940 ± 0.06 g/cm3 (est)
Polarizability :19.03 ± 0.5 10-24cm3 (est)
XlogP : 3.10 (est)
Molecular Weight : 170.2487200 (IUPAC) (PT) (112)
Formula :C10 H18 O2
NMR Predictor :Predict
 
 
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 (est)
Parachor :424.4 ± 6.0 cm3 (est)
Index of Refraction :1.443 ± 0.02 (est)
Surface Tension :30.1 ± 3.0 dyne/cm (est)
Density :0.940 ± 0.06 g/cm3 (est)
Polarizability :19.03 ± 0.5 10-24cm3 (est)
XlogP : 3.10 (est)
Molecular Weight : 170.2487200 (IUPAC) (PT) (112)
Formula :C10 H18 O2
NMR Predictor :Predict
 
 
Category :flavor and fragrance agents
EU / EUROPA / FDA / JECFA Information :
JECFA Food Flavoring :delta-Decalactone.
Fl@vouring Number : 10.007
FDA Mainterm : DELTA-DECALACTONE.
FDA Regulation. :FDA PART 172 -- FOOD ADDITIVES PERMITTED FOR DIRECT ADDITION TO FOOD FOR HUMAN CONSUMPTION
Subpart F--Flavoring Agents and Related Substances
Sec. 172.515 Synthetic flavoring substances and adjuvants.
Suppliers :
Advanced Biotech :delta-decalactone
95% min. natural
Odor:  Peach, creamy
Advanced Biotech :delta-decalactone
99% min. synthetic
Odor:  Peach, creamy
Bedoukian Research :delta-DECALACTONE
≥98.0% (sum of isomers), Kosher
Odor:  A creamy, coconut, peach-like odor with celery undertones
For creamy, tropical nuances in household products or fragrances.
Flavor:  sweet dairy creamy coconut fatty fruity
Used in mango, nectarine, coconut, raspberry flavors and as a coumarin replacer.
Berje :delta-Decalactone
Citrus and Allied Essences :delta-Decalactone
(natural)
Odor:  sweet oily coconut fruity peach creamy dairy
Citrus and Allied Essences :delta-Decalactone
FCC
Odor:  sweet oily coconut fruity peach creamy dairy
Fleurchem :d-decalactone
natural
Fleurchem :d-decalactone
Fontarome :DELTA-DECALACTONE
Odor:  Coconut-fruity
IFF :delta-Decalactone
≥98.00%, natural, Kosher
Inoue :delta-DECALACTONE
Mane :delta-decalactone
Moellhausen :delta-decalactone
98% min. nature identical kosher
Odor:  fruity, peach note, butter.
Flavor:  fruity peach note, creamy, nutty.
Mooreganics :delta-Decalactone
Natural (Organic Compliant)
Odor:  COCONUT-LIKE, PEACH, FRUITY
Penta :delta-decalactone
Polarome :delta-DECALACTONE
FCC
SAFC Global® :delta-Decalactone
≥98%, FCC, Kosher
Odor:  butter; coconut; creamy; fruity; peach; plum; sweet; wine-like.
SAFC Global® :delta-Decalactone
≥98%, natural, FCC, Kosher, FG
Odor:  butter; coconut; creamy; fruity; peach; plum; sweet; wine-like.
Organoleptics :
Odor Type :coconut
Odor Strength :medium
Odor Description:
at 100.00 %.  		fresh sweet oily coconut fruity peach creamy dairy
Luebke, William tgsc, (1997)
Odor sample from :CA Aromatics Company Inc.
Odor Description:
Sweet, creamy, Iactonic, fatly, coconut, milky
Mosciano, Gerard P&F 21, No. 3, 51, (1996)
Taste Description:
Coconut, creamy, fatty, butfery, milky and nutty with a slightly fruity nuance
Mosciano, Gerard P&F 21, No. 3, 51, (1996)
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 - est. : 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
Vapor Pressure :0.00100 mm/Hg @ 20.00 °C.
Flash Point :> 230.00  °F.  TCC  ( > 110.00 °C. )
logP (o/w) : 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
  R 36/38 - Irritating to skin and eyes.
S 02 - Keep out of the reach of children.
S 26 - In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S 36 - Wear suitable protective clothing.
Human Experience : 1 % solution: no irritation or sensitization.
Oral Toxicity(LD50) : 
  Oral-Rat    >5000.00  mg/kg
(Levenstein, 1975c)

Dermal Toxicity(LD50) : 
  Skin-Rabbit  >5.00  gm/kg
FCTXAV  
Inhalation Toxicity(LC50) : 
  Not determined
 
Safety in Use :
Category :flavor and fragrance agents
Maximised Survey-derived Daily Intakes (MSDI-EU) :7200.00 (μg/capita/day)
 
Recommendation for delta-decalactone fragrance usage levels up to :
  8.0000 % in the fragrance concentrate.
Recommendation for delta-decalactone flavor usage levels up to :
  50.0000 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
Env. Mutagen Info. Center :Search
Canada Domestic Sub. List :Yes
EPA Chem. Sub. Inventory : Yes
 
WGK Germany :1
 
 
 
 
6-pentyloxan-2-one
(EINECS) Number :211-889-1
Chemidplus :000705862
EPA Substance Registry Services :705-86-2
RTECS :UQ1355000 for cas# 705-86-2
 
 
 
(6R)-6-pentyloxan-2-one
Chemidplus :2825-91-4
EPA Substance Registry Services :2825-91-4
 
 
 
(6S)-6-pentyloxan-2-one
Chemidplus :59285-67-5
EPA Substance Registry Services :59285-67-5
References :
 
6-pentyloxan-2-one
NIST Chemistry WebBook :679419431
Pubchem :156154
Flavornet :705-86-2
 
(6R)-6-pentyloxan-2-one
Pubchem :40891473
 
(6S)-6-pentyloxan-2-one
Pubchem :43216243
Cosmetics :
Cosmetic Uses : masking agents
perfuming agents
Other :
CosIng :cosmetic data
FDA Everything Added to Food in the United States (EAFUS)View
Export Tariff Code :2932.29.6000
FMA :listed
RIFM :listed
VCF-Online: VCF Volatile Compounds in Food
Synonyms :
5-amyl-5-hydroxypentanoic acid lactone
5-N-amyl-5-hydroxypentanoic acid lactone
 amyl-delta-valerolactone
delta-amyl-delta-valerolactone
5-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
6-pentyloxan-2-one
 tetrahydro-6-pentyl-2H-pyran-2-one
Soluble in :
 alcohol
 fixed oils
 propylene glycol
 water, very slightly
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 2-ethyl butyrateFL
 allyl amyl glycolateFR
 allyl cinnamateFL/FR
 allyl cyclohexyl propionateFL/FR
 allyl cyclohexyl valerateFL
 allyl methyl trisulfideFL
 allyl nonanoateFL/FR
 amyl heptanoateFL/FR
isoamyl laurateFL/FR
isoamyl octanoateFL/FR
isoamyl salicylateFL/FR
6-amyl-alpha-pyroneFL/FR
 amyris wood oilFL/FR
 animal carbolactoneFR
para-anisyl alcoholFL/FR
para-anisyl propionateFL/FR
 benzyl cinnamateFL/FR
 benzyl octanoateFL/FR
 benzylidene acetoneFL
 blood orange oil italyFL/FR
 buchu mercaptanFL/FR
 butyl 2-decenoateFL/FR
isobutyl benzyl carbinolFL/FR
 butyl butyryl lactateFL/FR
isobutyl hexanoateFL/FR
 butyl isovalerateFL/FR
 butyl lactateFL/FR
 butyl laevo-lactateFL/FR
2-butyl thiopheneFL
 butyric acidFL
2-oxobutyric acidFL
gamma-butyrolactoneFL/FR
 caramel furanoneFL
 carrot seed oilFL/FR
 cassia bark oil chinaFL/FR
 cinnamyl alcoholFL/FR
 citronellyl formateFL/FR
 clove bud oilFL/FR
 clover nitrileFR
 coconut decanoneFR
 coconut naphthalenoneFL/FR
 coriander seed oilFL/FR
 costus valerolactoneFR
 creamy lactoneFL/FR
 currant bud absolute blackFL/FR
 cyclamen aldehydeFL/FR
 cyclohexyl cinnamateFL/FR
 cyclohexyl ethyl alcoholFL/FR
 cycloteneFL/FR
 dairy lactoneFL/FR
alpha-damasconeFL/FR
beta-damasconeFL/FR
 davana oilFL/FR
alpha-decalactoneFR
gamma-decalactoneFL/FR
 decen-1-yl cyclopentanoneFL/FR
6-decenoic acidFL
 dehydromenthofurolactoneFL
 diacetylFL
5,5-dibutyl dihydrofuran-2(3H)-oneFL
 dihydrojasmoneFL/FR
 dihydrojasmone lactoneFL/FR
 dimethyl anthranilateFL/FR
 dimethyl benzofuranoneFL
 dimethyl benzyl carbinyl butyrateFL/FR
alpha,alpha-dimethyl benzyl isobutyrateFL/FR
ortho-dimethyl hydroquinoneFL/FR
delta-dodecalactoneFL/FR
epsilon-dodecalactoneFL/FR
gamma-dodecalactoneFL/FR
 dodecanolFL/FR
delta-2-dodecenolactoneFL/FR
 ethyl cinnamateFL/FR
 ethyl cyclohexane propionateFL/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
 fruity butanateFR
 fruity cyclopentanoneFR
 furfuryl octanoateFL
2-furyl pentyl ketoneFL
 geraniolFL/FR
 geranyl isobutyrateFL/FR
 glyceryl 5-hydroxydecanoateFL/FR
 glyceryl 5-hydroxydodecanoateFL/FR
 grapefruit menthaneFL/FR
 green acetateFR
 heliotropinFL/FR
 heliotropyl acetateFL/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
2-heptyl cyclopentanoneFR
3-heptyl dihydro-5-methyl-2(3H)-furanoneFL/FR
gamma-hexalactoneFL/FR
 hexen-1-yl cyclopentanoneFR
2-hexen-1-yl cyclopentanyl acetateFR
alpha-hexyl cinnamaldehydeFL/FR
4-hydroxybenzyl alcoholFL/FR
 ivy dioxolaneFR
 jasmin lactoneFL/FR
 jasmin pyranoneFL/FR
 leerallFR
 levulinic acidFL
 linalool oxideFL/FR
 linalyl isovalerateFL/FR
 maltolFL/FR
 massoia bark oilFL
 massoia lactoneFL
(R)-massoia lactoneFL
 methionalFL
 methyl (Z)-5-octenoateFL
 methyl 2-thiofuroateFL
 methyl cinnamateFL/FR
6-methyl coumarinFL
7-methyl coumarinCS
 methyl dihydrojasmonateFL/FR
 methyl heptadienoneFL/FR
2-methyl heptanoic acidFL/FR
 methyl laurateFL/FR
4-methyl octanoic acidFL
dextro,laevo-3-(methyl thio) butanoneFL
 mint lactoneFL/FR
 myristyl alcoholFL/FR
 nerolidolFL/FR
(E,Z)-2,6-nonadien-1-olFL/FR
delta-nonalactoneFL/FR
gamma-nonalactone (aldehyde C-18)FL/FR
2-nonanolFL/FR
1-nonen-3-olFL/FR
 ocean propanalFL/FR
2,4-octadien-1-olFL
delta-octalactoneFL/FR
gamma-octalactoneFL/FR
 octen-1-yl cyclopentanoneFL/FR
3-octen-2-olFL/FR
4-octen-3-oneFL
 octyl 2-furoateFL
 octyl butyrateFL/FR
 octyl isobutyrateFL/FR
 peach cyclopentanoneFR
 peach nitrileFR
 peach pivalateFR
2-pentyl cyclopentanoneFR
 phenethyl isobutyrateFL/FR
 phenethyl isovalerateFL/FR
 phthalideFL/FR
 plum crotonateFR
 propyl octanoateFL/FR
isopropyl octanoateFL/FR
 raspberry ketoneFL/FR
 rose butanoateFL/FR
 santallFR
 strawberry furanoneFL/FR
 strawberry furanone acetateFL/FR
 strawberry glycidate 1 (aldehyde C-16)FL/FR
alpha-terpineolFL/FR
delta-tetradecalactoneFL/FR
 tetrahydrojasmoneFR
 tonka bean absoluteFR
 tonka ketoneFR
2-tridecanoneFL/FR
delta-undecalactoneFL/FR
gamma-undecalactone (aldehyde C-14)FL/FR
 undecanoic acidFL/FR
10-undecen-1-al (aldehyde C-11 undecylenic)FL/FR
isovaleraldehydeFL
 vanilla absolute 100%FL/FR
 vanilla carboxylateFL/FR
 vanilla oleoresin baliFL/FR
 vanillic acidFL/FR
 vanillinFL/FR
 vanillyl acetateFL/FR
 vanillyl alcoholFL/FR
 vanillyl isobutyrateFL/FR
 vanillylidene acetoneFL/FR
 watermelon ketoneFR
 whiskey lactoneFL/FR
 wine lactoneFL/FR
 woody amyleneFR
Potential Uses :
 apricotFR
 butterFR
 coconutFR
 creamFR
 dairyFL
 mangoFR
 necterineFL
 nutFL
 nut pecanFL
 peachFR
 pina coladaFR
 raspberryFR
 strawberryFR
 tropicalFL
Natural Occurrence in :    note
 apricot S
 butter heated butter  
data pagechampaca concrete @ trace% S
 cheese bleu cheese  
 coconut S
 lychee canned lychee  
 mango S
 nectarine  
data pageosmanthus absolute @ trace% S
 peach  
 raspberry  
 rum  
 strawberry S
 tea  
 tobacco burley tobacco S
 wine white wine  


Please share your Information / Comments.

Your email Address:


Top of Page          The Good Scents Company Home
Copyright © 1980-2010 The Good Scents Company Disclaimer Privacy Policy
Html Last modified 08/29/2010